SCHEMBL893983

SCHEMBL893983

CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)NCc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.46
GPR119 Q8TDV5 1/20 0.38
KCNH2 Q12809 4/20 0.37
SCN5A Q14524 4/20 0.37
SCN9A Q15858 4/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP4 P27487 1/20 0.37
NTRK1 P04629 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
KIT P10721 1/20 0.36
ALDH1A1 P00352 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL893889 0.90 TRPA1 (0.40) TRPA1PREPFAPDPP4ALDH1A1
SCHEMBL893953 0.86 TRPA1 (0.52) TRPA1KCNH2SCN5ASCN9AHDAC8
SCHEMBL13045904 0.85 ALDH1A1 (0.51) TRPA1GPR119SCN5AALDH1A1
SCHEMBL10201912 0.83 ALDH1A1 (0.47) HDAC8ALDH1A1
SCHEMBL893922 0.83 ALDH1A1 (0.47) HDAC8ALDH1A1
SCHEMBL3721342 0.82 GPR119 (0.39) TRPA1GPR119KCNH2SCN5ASCN9A
SCHEMBL892976 0.79 TRPA1 (0.68) TRPA1
SCHEMBL893866 0.77 TRPA1 (0.51) TRPA1SCN9A
SCHEMBL894009 0.76 TRPA1 (0.42) TRPA1PREPFAPHDAC8
SCHEMBL894253 0.75 ALDH1A1 (0.53) TRPA1SCN5AALDH1A1

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-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 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 1/4885GPR119 622/4885KCNH2 375/4885

“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.