SCHEMBL13613554

SCHEMBL13613554

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.65
CYP2C19 P33261 3/20 0.65
DRD1 P21728 3/20 0.65
OPRM1 P35372 3/20 0.65
ADRA2A P08913 2/20 0.65
CYP2B6 P20813 2/20 0.65
OPRK1 P41145 2/20 0.65
HTR2B P41595 2/20 0.65
KCNH2 Q12809 2/20 0.65
CHRM2 P08172 2/20 0.65
P2RY12 Q9H244 2/20 0.65
THRB P10828 1/20 0.65
NR1I2 O75469 1/20 0.65
HTR2A P28223 1/20 0.65
SLC6A4 P31645 1/20 0.65
CYP2C8 P10632 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 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
SCHEMBL13810983 0.83 ABCB11 (0.61) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL12604040 0.79 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL10952840 0.79 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL16706904 0.79 DRD1 (0.64) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL1031319 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL14009483 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL4769 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL754557 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL5567933 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A
Clopidogrel SCHEMBL29793709 0.79 ABCB11 (1.00) ABCB11CYP2C19DRD1OPRM1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612207-B2 Method for preparing clopidogrel 1,5-naphthalenedisulfonate or hydrate thereof HANMI PHARM. CO., LTD. (KR) 2009-11-03 US disclosed
US-20090036683-A1 METHOD FOR PREPARING CLOPIDOGREL 1,5-NAPHTHALENEDISULFONATE OR HYDRATE THEREOF HANMI PHARM. CO., LTD. (KR) 2009-02-05 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 (1 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-20090036683-A1 METHOD FOR PREPARING CLOPIDOGREL 1,5-NAPHTHALENEDISULFONATE OR HYDRATE THEREOF NUDT1, P2RY6, NUDT5 ABCB11 80/4885CYP2C19 17/4885DRD1 915/4885

“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.