SCHEMBL893918

SCHEMBL893918

O=C(NCc1cc(-c2ccc(Br)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.52
ATM Q13315 1/20 0.50
TSHR P16473 1/20 0.49
FKBP1A P62942 3/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
KCNQ1 P51787 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
SCHEMBL893357 0.92 TRPA1 (0.56) TRPA1ATMTSHRLMNA
SCHEMBL894247 0.89 TRPA1 (0.56) TRPA1ATMTSHRL3MBTL1LMNA
SCHEMBL893067 0.88 TRPA1 (0.56) TRPA1ATMTSHRL3MBTL1LMNA
SCHEMBL894110 0.88 TRPA1 (0.56) TRPA1ATMTSHRL3MBTL1KCNQ1
SCHEMBL894530 0.88 TRPA1 (0.56) TRPA1ATMTSHRLMNAKCNQ1
SCHEMBL893566 0.87 TRPA1 (0.54) TRPA1ATMTSHRL3MBTL1POLB
SCHEMBL893194 0.86 TRPA1 (0.52) TRPA1ATMTSHRL3MBTL1POLB
SCHEMBL894228 0.86 TRPA1 (0.54) TRPA1ATMTSHRL3MBTL1KCNQ1
SCHEMBL10202176 0.85 TRPA1 (0.51) TRPA1ATMTSHRL3MBTL1LMNA
SCHEMBL893342 0.84 ATM (0.59) TRPA1ATMTSHRL3MBTL1POLB

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 3 patents. 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
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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 (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 1/4885ATM 2689/4885TSHR 2952/4885

“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.