SCHEMBL737193

SCHEMBL737193

Fc1ccc2c(c1)COC21CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
AVPR1A P37288 1/20 0.40
HTR2C P28335 3/20 0.39
SIGMAR1 Q99720 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
NR3C2 P08235 3/20 0.35
OXTR P30559 1/20 0.34
HTR2A P28223 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL1587932 0.89 DPP4 (0.43) DPP4AVPR1AHTR2CNR3C2
Hydrochloric Acid SCHEMBL3561180 0.87 DPP4 (0.42) DPP4AVPR1AHTR2CNR3C2
SCHEMBL4975911 0.84 DPP4 (0.40) DPP4HTR2CSIGMAR1PARP1PARP10
SCHEMBL30574141 0.83 AVPR1A (0.41) DPP4AVPR1AOXTR
Butane SCHEMBL8575686 0.82 HTR2C (0.39) DPP4AVPR1AHTR2CNR3C2
SCHEMBL3400246 0.81 AVPR1A (0.42) AVPR1AOXTR
SCHEMBL1275908 0.81 HTR2C (0.47) AVPR1AHTR2CSIGMAR1OXTRHTR2A
SCHEMBL30508182 0.81 PNMT (0.41) HTR2CSIGMAR1HTR2A
SCHEMBL3745717 0.81 AVPR1A (0.40) AVPR1ASIGMAR1
SCHEMBL22648506 0.80 TDP2 (0.39) HTR2CPARP1PARP10HTR2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
WO-2006092731-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS PFIZER LIMTED (GB) 2006-09-08 WO disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (7 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 DPP4 1125/4885AVPR1A 472/4885HTR2C 1823/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 DPP4 1151/4885AVPR1A 528/4885HTR2C 1774/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 DPP4 925/4885AVPR1A 571/4885HTR2C 1218/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 DPP4 849/4885AVPR1A 28/4885HTR2C 1811/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 DPP4 3584/4885AVPR1A 609/4885HTR2C 2706/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 DPP4 2063/4885AVPR1A 301/4885HTR2C 929/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 DPP4 2919/4885AVPR1A 476/4885HTR2C 1394/4885

“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.