SCHEMBL10164597

SCHEMBL10164597

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(F)cc3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.47
RAB9A P51151 1/20 0.43

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
SCHEMBL894249 0.92 TRPA1 (0.49) TRPA1
SCHEMBL10164633 0.91 TRPA1 (0.49) TRPA1
SCHEMBL10164543 0.89 TRPA1 (0.49) TRPA1
SCHEMBL10164552 0.88 RAB9A (0.53) TRPA1RAB9A
SCHEMBL10164701 0.88 TRPA1 (0.46) TRPA1
SCHEMBL10164573 0.88 TSHR (0.52) TRPA1
SCHEMBL10164565 0.87 TRPA1 (0.52) TRPA1
SCHEMBL10164615 0.87 ALDH1A1 (0.40) TRPA1RAB9A
SCHEMBL10164622 0.86 TRPA1 (0.45) TRPA1
SCHEMBL10164558 0.85 RAB9A (0.44) TRPA1RAB9A

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885RAB9A 1608/4885

“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.