SCHEMBL10164622

SCHEMBL10164622

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(Cc4ccccn4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.45
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL894163 0.93 TRPA1 (0.47) TRPA1
SCHEMBL10164624 0.92 TRPA1 (0.46) TRPA1
SCHEMBL10164621 0.89 TRPA1 (0.47) TRPA1
SCHEMBL10164568 0.89 TSHR (0.49) TRPA1KDM4E
SCHEMBL10164600 0.88 TRPA1 (0.38) TRPA1PKMKDM4EALDH1A1POLB
SCHEMBL10164562 0.87 TRPA1 (0.47) TRPA1
SCHEMBL10164597 0.86 TRPA1 (0.47) TRPA1
SCHEMBL894527 0.84 TRPA1 (0.48) TRPA1
SCHEMBL893443 0.83 TRPA1 (0.48) TRPA1
SCHEMBL894161 0.82 TRPA1 (0.52) TRPA1PKMALDH1A1

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 1/4885PKM 4223/4885KDM4E 4514/4885

“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.