SCHEMBL1768902

SCHEMBL1768902

CNc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
PDE2A O00408 3/20 0.49
KIF11 P52732 3/20 0.44
LRRK2 Q5S007 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
MCL1 Q07820 3/20 0.41
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL883518 0.84 MCL1 (0.51) ALDH1A1MAPTTSHRMCL1CYP1A2
SCHEMBL24415721 0.82 CYP2C19 (0.40) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL15714285 0.81 KIF11 (0.50) ALDH1A1MAPTKIF11LRRK2MEN1
SCHEMBL1132575 0.80 ALDH1A1 (0.63) ALDH1A1MAPTPDE2AKIF11CA12
SCHEMBL11414327 0.80 ALDH1A1 (0.58) ALDH1A1MAPTPDE2AKIF11CA12
SCHEMBL24106554 0.79 PDE2A (0.53) ALDH1A1MAPTPDE2AKIF11CA12
SCHEMBL14015053 0.79 ESR1 (0.49) ALDH1A1MAPTPDE2AKIF11LRRK2
SCHEMBL10954025 0.79 ALDH1A1 (0.47) ALDH1A1MAPTPDE2AKIF11CA12
SCHEMBL3161607 0.78 ALDH1A1 (0.53) ALDH1A1MAPTPDE2AKIF11CA12
SCHEMBL27749032 0.78 HSD11B1 (0.46) ALDH1A1MAPTPDE2ALRRK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448850-B1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2020-11-04 EP claimed
US-10428024-B2 Piperidinyl derivatives MERCK PATENT GMBH (DE) 2019-10-01 US claimed
US-20190135753-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-09 US claimed
WO-2017186653-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-02 WO claimed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
CN-113620811-B Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2022-05-24 CN disclosed
CN-113620811-A Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2021-11-09 CN disclosed
CN-109071490-B Piperidinyl derivatives 默克专利股份公司 2021-04-06 CN disclosed
EP-3448850-B1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3719015-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-10-07 EP disclosed
EP-3299366-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE AND PREPARATION METHOD AND USE THEREOF AS PESTICIDES SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2020-09-09 EP disclosed
EP-3702355-A1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2020-09-02 EP disclosed
WO-2011058577-A1 PROCESS FOR SYNTHESIZING POLYHALOGENATED PERHALOALKYLANILINE COMPOUNDS GHARDA KEKI HORMUSJI (IN) 2011-05-19 WO disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
CN-1708476-A Novel amide compounds having MCH-antagonistic action and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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 (3 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-10428024-B2 Piperidinyl derivatives PDK1, PDK2, PDK3 ALDH1A1 82/4885MAPT 4278/4885PDE2A 1160/4885
US-20190135753-A1 PIPERIDINYL DERIVATIVES PDK1, PDK2, PDK3 ALDH1A1 82/4885MAPT 4278/4885PDE2A 1160/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R ALDH1A1 4267/4885MAPT 4346/4885PDE2A 2080/4885

“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.