SCHEMBL5769463

SCHEMBL5769463

N#CCN1CCc2sccc2C1c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 5/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LHCGR P22888 3/20 0.37
DRD1 P21728 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
USP2 O75604 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL5439863 0.79 HHAT (0.48) HHATMAPK1NPSR1LHCGRDRD1
SCHEMBL4018143 0.79 HHAT (0.48) HHATMAPK1NPSR1LHCGRDRD1
SCHEMBL1499097 0.79 HHAT (0.48) HHATMAPK1NPSR1LHCGRDRD1
Bromide SCHEMBL4019730 0.78 HHAT (0.47) HHATMAPK1NPSR1LHCGRDRD1
Hydrochloric Acid SCHEMBL5239130 0.78 HHAT (0.47) HHATMAPK1NPSR1LHCGRDRD1
SCHEMBL4738266 0.75 HHAT (0.48) HHATMAPK1NPSR1LHCGRDRD1
SCHEMBL2307868 0.75 HHAT (0.48) HHATMAPK1NPSR1LHCGRDRD1
Sulfuric Acid SCHEMBL2306919 0.72 HHAT (0.45) HHATLHCGRDRD1ABCB11
Hydrochloric Acid SCHEMBL11552953 0.69 MAPK1 (0.51) HHATMAPK1NPSR1LHCGRDRD1
SCHEMBL5303682 0.69 HHAT (0.52) HHATMAPK1NPSR1LHCGRDRD1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353928-B1 PROCESS FOR PREPARING CLOPIDOGREL CADILA HEALTHCARE LTD (IN) 2006-12-27 EP disclosed
WO-2006003671-A1 A PROCESS FOR RESOLUTION OF METHYLAMINO(2-CHLOROPHENYL)ACETATE BATTULA SRINIVASA REDDY (IN) 2006-01-12 WO disclosed
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 disclosed
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 disclosed
WO-2003035652-A9 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 LTD (GB) 2004-04-08 WO 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 (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-20020177712-A1 Process to prepare clopidogrel PTGER3, P2RY13, P2RY4 HHAT 2712/4885MAPK1 2655/4885NPSR1 697/4885
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 HHAT 3434/4885MAPK1 1972/4885NPSR1 344/4885

“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.