SCHEMBL889300

SCHEMBL889300

N#CC(c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.57
CYP2C19 P33261 3/20 0.57
DRD1 P21728 3/20 0.57
OPRM1 P35372 3/20 0.57
ADRA2A P08913 2/20 0.57
CYP2B6 P20813 2/20 0.57
OPRK1 P41145 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
THRB P10828 1/20 0.57
NR1I2 O75469 1/20 0.57
CHRM2 P08172 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
P2RY12 Q9H244 1/20 0.57
ALDH1A1 P00352 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL29674909 1.00 ABCB11 (0.57) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL7025224 1.00 ABCB11 (0.57) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL6424678 0.82 OPRL1 (0.44) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL12604040 0.81 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL10952840 0.81 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL16706904 0.81 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
Water SCHEMBL1989477 0.79 ABCB11 (0.76) ABCB11CYP2C19DRD1OPRM1ADRA2A
Water SCHEMBL3377943 0.79 ABCB11 (0.76) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL2721278 0.79 ABCB11 (0.58) ABCB11CYP2C19DRD1OPRM1ADRA2A
Hydrochloric Acid SCHEMBL7479212 0.78 ABCB11 (0.74) ABCB11CYP2C19DRD1OPRM1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104045652-A Preparation method of clopidogrel intermediate compound JIANFENG SHEN 2014-09-17 CN claimed
CN-100338068-C Process for preparing clopidogrel CADILA HEALTHCARE LTD (IN) 2007-09-19 CN claimed
EP-1353928-B1 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD (IN) 2006-12-27 EP claimed
US-20050049415-A1 Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives MERCK GENERICS (UK) LIMITED (GB) 2005-03-03 US claimed
EP-1438314-A1 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE ALPHA-PHENYL-APLPHA(6,7-DIHYDRO-4H-THIENO 3,2-C PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES Merck Generics (UK) Limited (GB) 2004-07-21 EP claimed
CN-1487943-A Process for preparing clopidogrel 2004-04-07 CN claimed
EP-1353928-A2 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD. (IN) 2003-10-22 EP claimed
US-6635763-B2 From 2-chlorobenzaldehyde and cyanide compound, then amine; resolution of racemic mixture CADILA HEALTH CARE LIMITED (IN) 2003-10-21 US claimed
WO-2003035652-A1 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE α-PHENYL-α-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES MERCK GENERICS [UK] LIMITED (GB) 2003-05-01 WO claimed
US-20020177712-A1 Process to prepare clopidogrel CADILA HEALTHCARE LIMITED (IN) 2002-11-28 US claimed
WO-2002059128-A2 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD. (IN) 2002-08-01 WO claimed
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS CELLIX BIO PRIVATE LTD (IN) 2016-05-12 US disclosed
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS CELLIX BIO PRIVATE LTD (IN) 2016-05-12 US disclosed
EP-1837337-B1 Novel crystalline polymorphs of clopidogrel GENERICS UK LTD (GB) 2016-04-06 EP disclosed
US-9175008-B1 Prodrugs of anti-platelet agents CELLIX BIO PRIVATE LIMITED (IN) 2015-11-03 US disclosed
EP-1353928-A2 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD. (IN) 2003-10-22 EP disclosed
US-6635763-B2 From 2-chlorobenzaldehyde and cyanide compound, then amine; resolution of racemic mixture CADILA HEALTH CARE LIMITED (IN) 2003-10-21 US disclosed
WO-2003035652-A1 A PROCESS FOR PREPARING ENANTIOMERICALLY PURE α-PHENYL-α-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES MERCK GENERICS [UK] LIMITED (GB) 2003-05-01 WO disclosed
US-20020177712-A1 Process to prepare clopidogrel CADILA HEALTHCARE LIMITED (IN) 2002-11-28 US disclosed
WO-2002059128-A2 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD. (IN) 2002-08-01 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-20020177712-A1 Process to prepare clopidogrel PTGER3, P2RY13, P2RY4 ABCB11 1636/4885CYP2C19 33/4885DRD1 1082/4885
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS F12, F2, PLAT ABCB11 87/4885CYP2C19 47/4885DRD1 4203/4885
US-20050049415-A1 Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives NR1H3, NR1H2, NR1H4 ABCB11 300/4885CYP2C19 124/4885DRD1 835/4885

“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.