SCHEMBL893067

SCHEMBL893067

O=C(NCc1cc(-c2ccc(Br)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.45
KCNQ1 P51787 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL894530 0.93 TRPA1 (0.56) TRPA1ATMTSHRLMNAKCNQ1
SCHEMBL894110 0.93 TRPA1 (0.56) TRPA1L3MBTL1ATMTSHRKCNQ1
SCHEMBL894247 0.92 TRPA1 (0.56) TRPA1L3MBTL1ATMTSHRLMNA
SCHEMBL894228 0.91 TRPA1 (0.54) TRPA1L3MBTL1ATMTSHRKCNQ1
SCHEMBL894523 0.91 TRPA1 (0.61) TRPA1L3MBTL1ATMKCNQ1
SCHEMBL893566 0.89 TRPA1 (0.54) TRPA1L3MBTL1ATMTSHRLMNA
SCHEMBL893918 0.88 TRPA1 (0.52) TRPA1L3MBTL1ATMTSHRLMNA
SCHEMBL10202176 0.87 TRPA1 (0.51) TRPA1L3MBTL1ATMTSHRLMNA
SCHEMBL894090 0.87 TRPA1 (0.56) TRPA1L3MBTL1ATMTSHRLMNA
SCHEMBL893194 0.87 TRPA1 (0.52) TRPA1L3MBTL1ATMTSHRLMNA

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 1/4885L3MBTL1 3677/4885ATM 2689/4885

“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.