SCHEMBL31495

SCHEMBL31495

O=C[C@H](c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.60
CYP2C19 P33261 3/20 0.60
DRD1 P21728 3/20 0.60
ADRA2A P08913 2/20 0.60
CYP2B6 P20813 2/20 0.60
OPRM1 P35372 2/20 0.60
OPRK1 P41145 2/20 0.60
HTR2B P41595 2/20 0.60
KCNH2 Q12809 2/20 0.60
THRB P10828 1/20 0.60
NR1I2 O75469 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
P2RY12 Q9H244 1/20 0.60
CYP2C8 P10632 1/20 0.51
CES1 P23141 1/20 0.51
ALDH1A1 P00352 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 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
SCHEMBL4538268 1.00 ABCB11 (0.60) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL29078167 0.88 DRD1 (0.57) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL14207878 0.85 DRD1 (0.47) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL12723123 0.82 DRD1 (0.45) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL4564635 0.82 ABCB11 (0.60) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL4564637 0.82 ABCB11 (0.60) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL14407225 0.81 ABCB11 (0.43) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL10952840 0.81 DRD1 (0.64) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL12604040 0.81 DRD1 (0.64) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL16706904 0.81 DRD1 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321785-B2 Methods for the treatment or prophylaxis of thrombosis or embolism IPCA LABORATORIES LIMITED (IN) 2016-04-26 US disclosed
US-9321785-B2 Methods for the treatment or prophylaxis of thrombosis or embolism IPCA LABORATORIES LIMITED (IN) 2016-04-26 US disclosed
US-20150307513-A1 COMPOSITION FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM IPCA LAB LTD (IN) 2015-10-29 US disclosed
US-20140018331-A1 METHODS FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM IPCA LABORATORIES LIMITED (IN) 2014-01-16 US disclosed
US-20140018331-A1 METHODS FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM IPCA LABORATORIES LIMITED (IN) 2014-01-16 US disclosed
EP-2540729-A1 (7aS, 2'S)-2-Oxoclopidogrel as anti-thrombotic compound IPCA Laboratories Limited (IN) 2013-01-02 EP disclosed
WO-2012025942-A1 METHODS FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM IPCA LABORATORIES LIMITED (IN) 2012-03-01 WO disclosed
WO-2008062421-A1 A PROCESS FOR PREPARING (S)-(+)-CLOPIDOGREL BASE AND ITS SALTS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 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-20140018331-A1 METHODS FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM F2, PLAT, SELP ABCB11 329/4885CYP2C19 48/4885DRD1 3413/4885
US-20150307513-A1 COMPOSITION FOR THE TREATMENT OR PROPHYLAXIS OF THROMBOSIS OR EMBOLISM PLA2G7, F2, PLTP ABCB11 465/4885CYP2C19 68/4885DRD1 4380/4885

“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.