SCHEMBL6376935

SCHEMBL6376935

O=C(O)C(c1ccccc1)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
ADRA2A P08913 2/20 0.57
CYP2B6 P20813 2/20 0.57
OPRM1 P35372 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
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.51
CYP2C8 P10632 1/20 0.48
CES1 P23141 1/20 0.48
AKR1C3 P42330 1/20 0.43

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
SCHEMBL28404328 1.00 ABCB11 (0.57) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL18845656 0.91 ABCB11 (0.57) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL12723091 0.91 ABCB11 (0.54) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL13575825 0.87 ABCB11 (0.72) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL10999703 0.87 ABCB11 (0.72) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL12723086 0.87 ABCB11 (0.72) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL11001334 0.85 ABCB11 (0.57) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL4770 0.83 ABCB11 (0.77) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL19148650 0.83 ABCB11 (0.77) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL14207882 0.83 ABCB11 (0.57) ABCB11CYP2C19DRD1ADRA2ACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
EP-0099802-B1 THIENO(3,2-C) PYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE ELF SANOFI (FR) 1987-02-04 EP claimed
US-10875874-B2 Ginkgolide B derivative and preparation method and use thereof CHENGDU BAIYU GINKGOLIDE PHARMACEUTICALS CO. LTD. (CN) 2020-12-29 US disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed
US-20190077811-A1 Ginkgolide B Derivative and Preparation Method And Use Thereof CHENGDU BAIYU GINKGOLIDE PHARMACEUTICALS CO., LTD. (CN) 2019-03-14 US disclosed
US-7932391-B2 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant Zhejiang Hauhai Pharmaceutical Co., Ltd. (CN) 2011-04-26 US disclosed
US-20080249311-A1 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2008-10-09 US disclosed
EP-1942110-A1 PREPARATION OF CLOPIDOGREL AND ITS ANALOGUES METHYL TETRAHYDROTHIENOPYRIDINE ACETATE COMPOUNDS Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2008-07-09 EP 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-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-4529596-A Anticoagulant; clopidogrel (Methyl Alpha -(4,5,6,7-tetrahydro-thieno(3,2-c)-5-pyridyl)-o-chlorophenyl-acetate) SANOFI, S.A. (FR) 1985-07-16 US 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 (4 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-10875874-B2 Ginkgolide B derivative and preparation method and use thereof GNB1, GYPA, GRK5 ABCB11 217/4885CYP2C19 60/4885DRD1 1653/4885
US-20080249311-A1 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant TFPI, F2, CYP2C19 ABCB11 539/4885CYP2C19 3/4885DRD1 546/4885
US-20190077811-A1 Ginkgolide B Derivative and Preparation Method And Use Thereof GNB1, GYPA, GRK5 ABCB11 217/4885CYP2C19 60/4885DRD1 1653/4885
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.