SCHEMBL893953

SCHEMBL893953

CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.52
HDAC1 Q13547 1/20 0.41
SCN9A Q15858 5/20 0.40
SCN5A Q14524 4/20 0.40
KCNH2 Q12809 3/20 0.40
HDAC8 Q9BY41 1/20 0.39
ABHD6 Q9BV23 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
KIT P10721 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL894009 0.90 TRPA1 (0.42) TRPA1HDAC1HDAC8
SCHEMBL893983 0.86 TRPA1 (0.46) TRPA1SCN9ASCN5AKCNH2HDAC8
SCHEMBL3727154 0.85 TRPA1 (0.56) TRPA1HDAC1SCN9ASCN5AKCNH2
SCHEMBL893297 0.82 TRPA1 (0.50) TRPA1HDAC1SCN9ASCN5AKCNH2
SCHEMBL893932 0.79 TRPA1 (0.75) TRPA1
SCHEMBL894045 0.78 TRPA1 (0.50) TRPA1HDAC1HDAC8SCN10A
SCHEMBL30838099 0.77 ALDH1A1 (0.50) HDAC8
SCHEMBL893916 0.77 TRPA1 (0.55) TRPA1SCN9A
SCHEMBL893889 0.76 TRPA1 (0.40) TRPA1
SCHEMBL3728015 0.76 ALDH1A1 (0.52) TRPA1HDAC1

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 1/4885HDAC1 297/4885SCN9A 235/4885

“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.