SCHEMBL1009824

SCHEMBL1009824

COc1ccc(C(=O)[C@](O)(C(=O)O)[C@@](O)(C(=O)O)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
PARP10 Q53GL7 2/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
HPGD P15428 2/20 0.50
PLK1 P53350 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL1009355 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL3823617 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL249566 1.00 CA1 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL7637140 0.82 CES2 (0.59) CA1CA2CES2CES1PARP10
SCHEMBL27860116 0.80 CES2 (0.57) CA1CA2CES2CES1PARP10
SCHEMBL28855975 0.79 CA1 (0.55) CA1CA2CES2CES1PARP10
SCHEMBL757101 0.79 CES2 (0.61) CA1CA2CES2CES1PARP10
SCHEMBL4949476 0.78 CES2 (0.62) CES2CES1PARP1KMT2AMEN1
SCHEMBL16321528 0.78 CA1 (0.49) CA1CA2CES2CES1PARP10
SCHEMBL29733566 0.78 CA1 (0.49) CA1CA2CES2CES1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268640-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2016-10-12 EP claimed
US-8557991-B2 Process for preparing enantiomerically pure indolopyridines 4SC AG (DE) 2013-10-15 US claimed
US-20110077404-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2011-03-31 US claimed
EP-2268640-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2011-01-05 EP claimed
WO-2009109620-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2009-09-11 WO claimed
EP-2098524-A1 Process for preparing enantiomerically pure indolopyrinidines 4SC AG (DE) 2009-09-09 EP claimed
EP-1192134-B1 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL AVENTIS PHARMA INC (US) 2007-09-19 EP claimed
EP-1736469-A2 Processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-Fluorophenyl)ethyl]-4-piperidinemethanol Aventis Pharmaceuticals Inc. (US) 2006-12-27 EP claimed
US-6713627-B2 FOR RECEPTOR ANTAGONISTS IN TREATMENT OF SCHIZOLPHRENIA, ANXIETY, VARIANT ANGINA, ANOREXIA VERVOSA, RAYNAUD'S PHENOMENON, INTERMITTENT CLAUDICATION, CORONARY OR PERIPHERAL VASOSPASMS, FIBROMYALGIA, CARDIAC ARRHYTHMIA'S, AND THROMBOSIS AVENTIS PHARMACEUTICALS INC. 2004-03-30 US claimed
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTISUB II INC. 2002-10-17 US claimed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 EP claimed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 WO claimed
EP-4585601-A1 NOVEL OLIGOSACCHARIDE, PRODUCTION INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE, PRODUCTION METHOD FOR NOVEL OLIGOSACCHARIDE, AND PRODUCTION METHOD FOR PRODUCTION INTERMEDIATE FOR NOVEL OLIGOSACCHARIDE Daiichi Sankyo Company, Limited (JP) 2025-07-16 EP disclosed
CN-113382767-B Urea compounds having substituents 第一三共株式会社 2024-12-24 CN disclosed
CN-117222623-A Acid addition salts of (S) -3- (2, 5-dimethoxy-4- (trifluoromethyl) phenyl) piperidine and (S) -3- (2-methoxy-5- (methylthio) -4- (trifluoromethyl) phenyl) piperidine, specific polymorphs thereof and processes for preparing the same 罗弗拉有限公司 2023-12-12 CN disclosed
EP-3862354-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2021-08-11 EP disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 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 (2 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-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CBR1 CA1 3834/4885CA2 4537/4885CES2 84/4885
US-20110077404-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES GRIK5, CYP3A5, GRK5 CA1 2933/4885CA2 963/4885CES2 1765/4885

“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.