SCHEMBL12350618

SCHEMBL12350618

Cc1ccc([C@@H]2C[C@H]2c2nc3cc(-c4ccccc4C(C)(C)O)ccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.42
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 3/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PDE10A Q9Y233 4/20 0.35
▸ ROCK2 O75116 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL12350625 1.00 TRPV1 (0.42) TRPV1HCRTR1HCRTR2TRPA1PDE10A
SCHEMBL12350627 1.00 TRPV1 (0.42) TRPV1HCRTR1HCRTR2TRPA1PDE10A
SCHEMBL12350621 1.00 TRPV1 (0.42) TRPV1HCRTR1HCRTR2TRPA1PDE10A
SCHEMBL12350594 1.00 TRPV1 (0.42) TRPV1HCRTR1HCRTR2TRPA1PDE10A
SCHEMBL1797611 0.91 TRPV1 (0.50) TRPV1HCRTR1HCRTR2TRPA1PDE10A
SCHEMBL1796567 0.89 TRPV1 (0.52) TRPV1TRPA1ROCK2
SCHEMBL1802866 0.89 TRPV1 (0.52) TRPV1TRPA1ROCK2
SCHEMBL1796813 0.89 TRPV1 (0.52) TRPV1TRPA1ROCK2
SCHEMBL1800653 0.89 TRPV1 (0.52) TRPV1TRPA1ROCK2
SCHEMBL1801566 0.89 TRPV1 (0.41) TRPV1HCRTR1HCRTR2TRPA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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 (1 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885HCRTR1 3055/4885HCRTR2 3386/4885

“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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