SCHEMBL893297

SCHEMBL893297

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.50
HDAC1 Q13547 1/20 0.42
ABHD6 Q9BV23 2/20 0.41
DAGLA Q9Y4D2 1/20 0.41
SCN9A Q15858 3/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
HTR2C P28335 1/20 0.38
KIT P10721 1/20 0.38
EPHX2 P34913 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ROS1 P08922 2/20 0.36
ALK Q9UM73 2/20 0.36
GPR119 Q8TDV5 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
SCHEMBL893706 0.90 HDAC1 (0.42) TRPA1HDAC1SCN9A
SCHEMBL3721342 0.86 GPR119 (0.39) TRPA1ABHD6DAGLASCN9AKCNH2
SCHEMBL3727154 0.84 TRPA1 (0.56) TRPA1HDAC1SCN9AKCNH2SCN5A
SCHEMBL893953 0.82 TRPA1 (0.52) TRPA1HDAC1ABHD6DAGLASCN9A
SCHEMBL894045 0.79 TRPA1 (0.50) TRPA1HDAC1SCN10AEPHX2HDAC8
SCHEMBL894065 0.78 TRPA1 (0.72) TRPA1
SCHEMBL893809 0.76 TRPA1 (0.53) TRPA1SCN9ASCN10AHTR2C
SCHEMBL893298 0.76 TRPA1 (0.46) TRPA1HDAC1ABHD6DAGLASCN10A
SCHEMBL3724738 0.76 TRPA1 (0.38) TRPA1EPHX2
SCHEMBL3727369 0.75 TACR1 (0.44) TRPA1HDAC1HDAC8GPR119

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 5 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
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
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 297/4885ABHD6 2166/4885

“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.