Sugi Predict

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SCHEMBL307730

SCHEMBL307730

C[C@H](NC(=O)Cn1cnc2cccc(F)c21)c1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.66
▸ MAPK1 P28482 1/20 0.44
▸ GPR139 Q6DWJ6 12/20 0.43
▸ AR P10275 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ENPP2 Q13822 1/20 0.37

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
SCHEMBL307032 1.00 TRPV1 (0.66) TRPV1MAPK1GPR139ARCYP3A4
SCHEMBL307996 0.90 TRPV1 (0.82) TRPV1MAPK1GPR139ALDH1A1ENPP2
SCHEMBL308087 0.90 TRPV1 (0.82) TRPV1MAPK1GPR139ALDH1A1ENPP2
SCHEMBL307997 0.90 TRPV1 (0.82) TRPV1MAPK1GPR139ALDH1A1ENPP2
SCHEMBL308036 0.89 TRPV1 (0.69) TRPV1MAPK1GPR139ALDH1A1ENPP2
SCHEMBL308037 0.89 TRPV1 (0.69) TRPV1MAPK1GPR139ALDH1A1ENPP2
SCHEMBL306519 0.89 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306518 0.89 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL308305 0.89 TRPV1 (0.58) TRPV1MAPK1GPR139ARCYP3A4
SCHEMBL306501 0.89 TRPV1 (0.58) TRPV1MAPK1GPR139ARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP claimed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 — — US claimed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP disclosed
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 10/4885MAPK1 4150/4885GPR139 379/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA TRPV1 15/4885MAPK1 4483/4885GPR139 682/4885

“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.