SCHEMBL13145137

SCHEMBL13145137

COC(=O)[C@@H](c1ccccc1C)N1CCc2sccc2C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.78
OPRM1 P35372 3/20 0.78
CYP2C19 P33261 2/20 0.78
CHRM2 P08172 2/20 0.78
P2RY12 Q9H244 2/20 0.78
DRD1 P21728 2/20 0.78
OPRK1 P41145 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
HTR2A P28223 1/20 0.78
SLC6A4 P31645 1/20 0.78
HTR2B P41595 1/20 0.78
KCNH2 Q12809 1/20 0.78
CYP2C8 P10632 1/20 0.50
CES1 P23141 1/20 0.50
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
PRMT5 O14744 6/20 0.39

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
SCHEMBL12101937 1.00 ABCB11 (0.78) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL13145041 1.00 ABCB11 (0.78) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL2615177 0.89 ABCB11 (0.78) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL2615178 0.89 ABCB11 (0.78) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL1054769 0.89 ABCB11 (0.78) ABCB11OPRM1CYP2C19CHRM2P2RY12
Clopidogrel SCHEMBL4769 0.88 ABCB11 (1.00) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL14346729 0.88 ABCB11 (0.77) ABCB11OPRM1CYP2C19CHRM2P2RY12
SCHEMBL12604076 0.88 ABCB11 (0.77) ABCB11OPRM1CYP2C19CHRM2P2RY12
Clopidogrel SCHEMBL754557 0.88 ABCB11 (1.00) ABCB11OPRM1CYP2C19CHRM2P2RY12
Clopidogrel SCHEMBL1031319 0.88 ABCB11 (1.00) ABCB11OPRM1CYP2C19CHRM2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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 (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-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C ABCB11 902/4885OPRM1 59/4885CYP2C19 65/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R ABCB11 362/4885OPRM1 710/4885CYP2C19 1/4885

“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.