SCHEMBL307936

SCHEMBL307936

Cc1cc(C(C)(C)C#N)ccc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.36
HTR1D P28221 3/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1B P28222 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CYP19A1 P11511 1/20 0.32
UGT1A4 P22310 1/20 0.32
PDE4D Q08499 1/20 0.32
GRM1 Q13255 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
BRAF P15056 1/20 0.31
EPHX2 P34913 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL28782811 0.87 SCN10A (0.37) SCN10AHTR1DCYP19A1UGT1A4PDE4D
SCHEMBL3944519 0.86 TAAR1 (0.43) SCN10AHTR1DADRA2C
SCHEMBL27755359 0.79 SCN10A (0.35) SCN10ACYP19A1UGT1A4PDE4DCNR1
SCHEMBL12049340 0.79 HTR1D (0.46) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL10124571 0.77 PDE2A (0.41) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL10227953 0.77 SCN10A (0.38) SCN10ACYP19A1UGT1A4PDE4DGRM1
SCHEMBL27755272 0.76 SCN10A (0.40) SCN10A
SCHEMBL24196658 0.76 DAO (0.36) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL2817699 0.76 CYP3A4 (0.45) SCN10AGRM1ESR1ESR2BRAF
SCHEMBL27775906 0.74 DHODH (0.36) SCN10ABRAF

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 17 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 disclosed
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-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US 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-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 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-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-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
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA SCN10A 203/4885HTR1D 721/4885ADRA2A 532/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA SCN10A 259/4885HTR1D 708/4885ADRA2A 476/4885

“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.