SCHEMBL1054769

SCHEMBL1054769

COC(=O)C(c1ccccc1F)N1CCc2sccc2C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.78
CHRM2 P08172 2/20 0.78
OPRM1 P35372 2/20 0.78
P2RY12 Q9H244 2/20 0.78
THRB P10828 1/20 0.78
NR1I2 O75469 1/20 0.78
ADRA2A P08913 1/20 0.78
CYP2B6 P20813 1/20 0.78
DRD1 P21728 1/20 0.78
HTR2A P28223 1/20 0.78
SLC6A4 P31645 1/20 0.78
CYP2C19 P33261 1/20 0.78
OPRK1 P41145 1/20 0.78
HTR2B P41595 1/20 0.78
KCNH2 Q12809 1/20 0.78
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51
CYP2C8 P10632 1/20 0.50
CES1 P23141 1/20 0.50
MC4R P32245 5/20 0.44

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
SCHEMBL2615178 1.00 ABCB11 (0.78) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL2615177 1.00 ABCB11 (0.78) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL12101937 0.89 ABCB11 (0.78) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL13145137 0.89 ABCB11 (0.78) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL13145041 0.89 ABCB11 (0.78) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL8677579 0.88 ABCB11 (0.61) ABCB11CHRM2OPRM1P2RY12THRB
Clopidogrel SCHEMBL754557 0.88 ABCB11 (1.00) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL14346729 0.88 ABCB11 (0.77) ABCB11CHRM2OPRM1P2RY12THRB
Clopidogrel SCHEMBL4769 0.88 ABCB11 (1.00) ABCB11CHRM2OPRM1P2RY12THRB
SCHEMBL12604076 0.88 ABCB11 (0.77) ABCB11CHRM2OPRM1P2RY12THRB

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
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 claimed
US-20110159049-A1 PHARMACEUTICAL COMPOSITION DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-30 US disclosed
EP-2275141-A1 Tastemasked pharmaceutical compositions DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-01-19 EP disclosed
US-20070196504-A1 PHARMACEUTICAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070148235-A1 PHARMACEUTICAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20050152975-A1 Pharmaceutical composition DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-07-14 US disclosed
US-20040022848-A1 Medicinal composition DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-05 US disclosed
EP-1319399-A1 MEDICINAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-18 EP disclosed
EP-1161956-A1 MEDICINAL COMPOSITIONS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP 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 (5 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-20050152975-A1 Pharmaceutical composition TAS2R5, TAS2R60, TAS2R16 ABCB11 658/4885CHRM2 333/4885OPRM1 932/4885
US-20070148235-A1 PHARMACEUTICAL COMPOSITION TAS2R5, TAS2R60, TAS2R16 ABCB11 658/4885CHRM2 333/4885OPRM1 932/4885
US-20110159049-A1 PHARMACEUTICAL COMPOSITION TAS2R5, TAS2R60, TAS2R16 ABCB11 658/4885CHRM2 333/4885OPRM1 932/4885
US-20040022848-A1 Medicinal composition CD44, CMA1, ACLY ABCB11 122/4885CHRM2 1663/4885OPRM1 1139/4885
US-20070196504-A1 PHARMACEUTICAL COMPOSITION CMA1, HRH2, ACLY ABCB11 145/4885CHRM2 2128/4885OPRM1 1991/4885

“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.