SCHEMBL894228

SCHEMBL894228

CN1CCCN(c2nc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(-c3ccc(Br)cc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.54
ATM Q13315 1/20 0.47
TSHR P16473 1/20 0.45
KCNQ1 P51787 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 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
SCHEMBL894110 0.98 TRPA1 (0.56) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893734 0.91 TRPA1 (0.60) TRPA1KCNQ1
SCHEMBL893067 0.91 TRPA1 (0.56) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL894247 0.90 TRPA1 (0.56) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893296 0.89 TRPA1 (0.62) TRPA1ATMKCNQ1
SCHEMBL10201455 0.89 TRPA1 (0.62) TRPA1ATMKCNQ1
SCHEMBL894530 0.89 TRPA1 (0.56) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893566 0.86 TRPA1 (0.54) TRPA1ATMTSHRGAAHTT
SCHEMBL10202176 0.86 TRPA1 (0.51) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893194 0.86 TRPA1 (0.52) TRPA1ATMTSHRKCNQ1L3MBTL1

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.