SCHEMBL160011

SCHEMBL160011

COc1[c]cc(OC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
GRIN2B Q13224 1/20 0.35
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR6 P51684 1/20 0.34
ABL1 P00519 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
PDE2A O00408 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL621805 0.86 GPR3 (0.38) GPR3MAPTEPHX2L3MBTL1NPC1
SCHEMBL1068038 0.85 CA12 (0.37) GPR3GRIN2BMAPTL3MBTL1CCR6
SCHEMBL4918214 0.80 PDE2A (0.37) GPR3MAPTEPHX2L3MBTL1PDE2A
SCHEMBL4915707 0.80 L3MBTL1 (0.44) GPR3L3MBTL1PDE2AALDH1A1TSHR
SCHEMBL105204 0.79 CA1 (0.48) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1069872 0.78 GPR3 (0.37) GPR3MAPTEPHX2L3MBTL1NPC1
SCHEMBL17046408 0.78 L3MBTL1 (0.36) L3MBTL1PDE2AALDH1A1TSHRCA12
SCHEMBL28053489 0.77 CA1 (0.46) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL27488332 0.77 CA1 (0.46) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL21268362 0.77 MAPT (0.34) GPR3MAPTEPHX2L3MBTL1PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 89 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
US-8217055-B2 Pyrido-pyrazine derivatives useful as herbicidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-07-10 US claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-1080080-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-07 EP claimed
EP-1080080-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS Advanced Medicine, Inc. (US) 2001-03-07 EP claimed
WO-1999064000-A9 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO claimed
WO-1999064000-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US claimed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO claimed
US-5663349-A Preparation of substituted piperidenes PFIZER INC (US) 1997-09-02 US claimed
US-5604252-A Azanorbornane derivatives PFIZER INC. (US) 1997-02-18 US claimed
EP-0619806-B1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER (US) 1996-01-03 EP claimed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 EP claimed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
CN-104245689-B Terazololine-one compound and its purposes as insecticide 住友化学株式会社 2017-06-06 CN disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
CN-105636955-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-06-01 CN disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
US-8987455-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-8557840-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-10-15 US disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
EP-2057154-B1 PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2012-11-14 EP disclosed
US-8217055-B2 Pyrido-pyrazine derivatives useful as herbicidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-07-10 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-8133847-B2 Pyrido[2,3-B]pyrazine derivatives useful as herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-20110034334-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-02-10 US disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 WO disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 US disclosed
EP-2254417-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
EP-2102205-B1 PYRIDO-PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2010-09-01 EP disclosed
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
US-20100167929-A1 PYRIDO-PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-07-01 US disclosed
US-20090305892-A1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-12-10 US disclosed
EP-2102205-A1 PYRIDO-PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2009-09-23 EP disclosed
WO-2009090401-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 WO disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 WO disclosed
EP-2057154-A1 PYRIDO [2, 3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2009-05-13 EP disclosed
WO-2008071918-A1 PYRIDO-PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2008-06-19 WO disclosed
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
WO-2008009908-A1 PYRIDO [2, 3-B] PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2008-01-24 WO disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP disclosed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed
US-5663349-A Preparation of substituted piperidenes PFIZER INC (US) 1997-09-02 US disclosed
EP-0619806-B1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER (US) 1996-01-03 EP disclosed
US-5364943-A Preparation of substituted piperidines PFIZER INC. (US) 1994-11-15 US disclosed
EP-0619806-A1 PREPARATION OF SUBSTITUTED PIPERIDINES. PFIZER (US) 1994-10-19 EP disclosed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO disclosed
WO-1993011110-A1 PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1993-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (22 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR3 7/4885GRIN2B 67/4885MAPT 1911/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 GPR3 1847/4885GRIN2B 2798/4885MAPT 3682/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR GPR3 277/4885GRIN2B 1394/4885MAPT 2745/4885
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GPR3 2010/4885GRIN2B 973/4885MAPT 519/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R GPR3 82/4885GRIN2B 210/4885MAPT 1636/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GPR3 2010/4885GRIN2B 973/4885MAPT 519/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 GPR3 2588/4885GRIN2B 1698/4885MAPT 268/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GPR3 2010/4885GRIN2B 973/4885MAPT 519/4885
US-20100167929-A1 PYRIDO-PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS CBR3, PNPO, CBR1 GPR3 2208/4885GRIN2B 1466/4885MAPT 3769/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR3 7/4885GRIN2B 67/4885MAPT 1911/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 GPR3 2588/4885GRIN2B 1698/4885MAPT 268/4885
US-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 GPR3 1981/4885GRIN2B 1686/4885MAPT 4241/4885
US-20110034334-A1 HERBICIDAL COMPOUNDS CYP4Z1, CYP4F3, DDT GPR3 3048/4885GRIN2B 1988/4885MAPT 4388/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 GPR3 335/4885GRIN2B 90/4885MAPT 1324/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 GPR3 2588/4885GRIN2B 1698/4885MAPT 268/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 GPR3 2588/4885GRIN2B 1698/4885MAPT 268/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 GPR3 287/4885GRIN2B 3056/4885MAPT 4048/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 GPR3 1847/4885GRIN2B 2798/4885MAPT 3682/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GPR3 2010/4885GRIN2B 973/4885MAPT 519/4885
US-20090305892-A1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES USEFUL AS HERBICIDAL COMPOUNDS PNPO, CBR3, CBR1 GPR3 2492/4885GRIN2B 1352/4885MAPT 4390/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX GPR3 809/4885GRIN2B 1250/4885MAPT 4724/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GPR3 2010/4885GRIN2B 973/4885MAPT 519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.