SCHEMBL309312

SCHEMBL309312

Cc1cc(C(C)NC(=O)Cn2cnc3ccc(Cl)c(F)c32)ccc1C(C)(C)C#N

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
GPR139 Q6DWJ6 16/20 0.40
ENPP2 Q13822 1/20 0.38

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
SCHEMBL309311 1.00 TRPV1 (0.56) TRPV1GPR139ENPP2
SCHEMBL307584 0.92 TRPV1 (0.67) TRPV1GPR139ENPP2
SCHEMBL307203 0.91 TRPV1 (0.56) TRPV1GPR139ENPP2
SCHEMBL306816 0.88 TRPV1 (0.67) TRPV1GPR139ENPP2
SCHEMBL1389262 0.87 TRPV1 (0.68) TRPV1GPR139ENPP2
SCHEMBL1389264 0.87 TRPV1 (0.68) TRPV1GPR139ENPP2
SCHEMBL307213 0.84 TRPV1 (0.69) TRPV1GPR139ENPP2
SCHEMBL308183 0.84 TRPV1 (0.54) TRPV1GPR139ENPP2
SCHEMBL307972 0.84 TRPV1 (0.47) TRPV1GPR139ENPP2
SCHEMBL307417 0.84 TRPV1 (0.58) TRPV1GPR139ENPP2

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-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA TRPV1 10/4885GPR139 379/4885ENPP2 3316/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA TRPV1 15/4885GPR139 682/4885ENPP2 3057/4885

“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.