SCHEMBL893889

SCHEMBL893889

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.40
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
TACR1 P25103 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38
ENPP2 Q13822 1/20 0.37
GHSR Q92847 1/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL893983 0.90 TRPA1 (0.46) TRPA1PREPFAPDPP4ALDH1A1
SCHEMBL894009 0.86 TRPA1 (0.42) TRPA1PREPFAPTACR1F2
SCHEMBL894253 0.85 ALDH1A1 (0.53) TRPA1ALDH1A1
SCHEMBL10201912 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL893922 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL3724738 0.81 TRPA1 (0.38) TRPA1TACR1GHSR
SCHEMBL893412 0.77 TRPA1 (0.61) TRPA1
SCHEMBL893953 0.76 TRPA1 (0.52) TRPA1
SCHEMBL894112 0.75 TRPA1 (0.50) TRPA1
SCHEMBL13045904 0.75 ALDH1A1 (0.51) TRPA1ALDH1A1

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 1/4885PREP 1954/4885FAP 581/4885

“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.