SCHEMBL1481826

SCHEMBL1481826

O=C(Cn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(O)cc2)cc1)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
PTGES O14684 1/20 0.38
MARS1 P56192 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
PPARA Q07869 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GCGR P47871 1/20 0.35
ENPP2 Q13822 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1481827 1.00 CNR1 (0.44) CNR1PTGESMARS1TRPV1PPARA
SCHEMBL1481859 0.90 CNR1 (0.56) CNR1MAPTRXFP1
SCHEMBL1481855 0.90 CNR1 (0.56) CNR1MAPTRXFP1
SCHEMBL1481318 0.90 FFAR4 (0.43) CNR1RIPK1GCGRCYP3A4CYP2C9
SCHEMBL1481314 0.90 FFAR4 (0.43) CNR1RIPK1GCGRCYP3A4CYP2C9
SCHEMBL1481994 0.89 CNR1 (0.54) CNR1RXFP1NPC1RAB9A
SCHEMBL1481991 0.89 CNR1 (0.54) CNR1RXFP1NPC1RAB9A
SCHEMBL1481637 0.88 CNR1 (0.42) CNR1PTGESMARS1RIPK1MAPT
SCHEMBL1482891 0.88 CNR1 (0.42) CNR1PTGESMARS1RIPK1MAPT
SCHEMBL1483691 0.88 MARS1 (0.39) CNR1PTGESMARS1TRPV1MAPT

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885PTGES 1684/4885MARS1 3703/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885PTGES 1684/4885MARS1 3703/4885

“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.