SCHEMBL306709

SCHEMBL306709

N#Cc1ccc(C2(C#N)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.46
▸ CA12 O43570 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL307252 0.91 OPRM1 (0.43) OPRM1CA12CA2CA9CA1
SCHEMBL21820708 0.91 NPC1 (0.46) OPRM1CA12CA2CA9CA1
SCHEMBL307518 0.90 NPC1 (0.45) OPRM1CA12CA2CA9CA1
SCHEMBL22241035 0.83 HSD11B1 (0.45) OPRM1ALDH1A1CYP2A6HSD11B1POLB
SCHEMBL351031 0.83 OPRM1 (0.43) OPRM1CA12CA2CA9CA1
SCHEMBL14893610 0.79 OPRM1 (0.35) OPRM1ALDH1A1CYP2A6CYP19A1HSD11B1
SCHEMBL21820671 0.78 PDE4A (0.38) OPRM1CYP19A1HSD11B1POLB
SCHEMBL23588025 0.77 ESR1 (0.46) OPRM1CA12CA2CA9CA1
SCHEMBL2300 0.77 OPRM1 (0.46) OPRM1CA12CA2CA9CA1
SCHEMBL4201312 0.77 OPRM1 (0.46) OPRM1ALDH1A1HSD11B1CYP2D6

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
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 — — 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 OPRM1 7/4885CA12 4644/4885CA2 2315/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA OPRM1 7/4885CA12 4410/4885CA2 2089/4885

“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.

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