SCHEMBL4490776

SCHEMBL4490776

Cc1c(CNS(=O)(=O)c2cccc(C#N)c2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.51
CHRNA7 P36544 1/20 0.42
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
CCR4 P51679 1/20 0.40
CNR1 P21554 8/20 0.40
CNR2 P34972 7/20 0.40
MALT1 Q9UDY8 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4490618 0.90 OPRL1 (0.57) OPRL1CHRNA7NPC1ALDH1A1MAPT
SCHEMBL4476893 0.85 OPRL1 (0.52) OPRL1CHRNA7MALT1ALDH1A1MAPT
SCHEMBL1376522 0.68 OPRL1 (0.55) OPRL1CNR1CNR2
Hydrochloric Acid SCHEMBL4564842 0.68 OPRL1 (0.61) OPRL1CHRNA7CNR1CNR2
SCHEMBL4507017 0.68 ALDH1A1 (0.41) CNR1MALT1ALDH1A1MAPT
SCHEMBL4492245 0.67 OPRL1 (0.46) OPRL1CHRNA7CNR1CNR2ALDH1A1
SCHEMBL12530394 0.66 CYP19A1 (0.54) CNR1CNR2MAPT
SCHEMBL1946246 0.66 HSD17B1 (0.45) CCR1CCR2CCR4CNR1CNR2
SCHEMBL908264 0.66 CNR1 (0.47) OPRL1CCR1CCR2CCR4CNR1
SCHEMBL2542230 0.66 CNR1 (0.48) CCR1CCR2CCR4CNR1CNR2

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-7524971-B2 1,5-diarylpyrrole derivatives, preparation method thereof and application of same in therapeutics SANOFI - AVENTIS (FR) 2009-04-28 US claimed
US-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-17 US claimed
US-7524971-B2 1,5-diarylpyrrole derivatives, preparation method thereof and application of same in therapeutics SANOFI - AVENTIS (FR) 2009-04-28 US disclosed
US-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-17 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-20080015245-A1 1,5-DIARYLPYRROLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS QDPR, DPYD, CD38 OPRL1 1286/4885CHRNA7 3779/4885CCR1 469/4885

“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.