SCHEMBL893706

SCHEMBL893706

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
KDM1A O60341 2/20 0.42
TACR1 P25103 2/20 0.40
TRPA1 O75762 9/20 0.39
USP30 Q70CQ3 2/20 0.37
SYK P43405 1/20 0.36
GHSR Q92847 1/20 0.36
SCN9A Q15858 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
SCHEMBL893297 0.90 TRPA1 (0.50) HDAC1TRPA1SCN9A
SCHEMBL3724738 0.85 TRPA1 (0.38) TACR1TRPA1SYKGHSR
SCHEMBL3727369 0.85 TACR1 (0.44) HDAC1TACR1TRPA1GHSR
SCHEMBL3728015 0.83 ALDH1A1 (0.52) HDAC1KDM1ATACR1TRPA1USP30
SCHEMBL894009 0.82 TRPA1 (0.42) HDAC1KDM1ATACR1TRPA1
SCHEMBL893757 0.79 HDAC1 (0.53) HDAC1KDM1A
SCHEMBL893876 0.77 TRPA1 (0.58) TRPA1
SCHEMBL3721342 0.76 GPR119 (0.39) TRPA1SCN9A
SCHEMBL893707 0.75 HDAC1 (0.46) HDAC1KDM1ATRPA1
SCHEMBL10203302 0.75 ALDH1A1 (0.45)

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 HDAC1 297/4885KDM1A 4219/4885TACR1 247/4885

“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.