SCHEMBL894045

SCHEMBL894045

CC(C)(C)OC(=O)NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
SCN10A Q9Y5Y9 2/20 0.49
ADORA3 P0DMS8 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 1/20 0.42
GRM2 Q14416 1/20 0.42
PTGES O14684 1/20 0.42
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL18223585 0.88 ACACB (0.43) TRPA1ACACBACACAGRM2KDM1A
SCHEMBL893757 0.87 HDAC1 (0.53) ACACBACACAGRM2KDM1AHDAC1
SCHEMBL18224069 0.84 GAA (0.49) ACACBACACAGRM2HDAC1NAMPT
SCHEMBL893298 0.83 TRPA1 (0.46) TRPA1SCN10AADORA3EPHX2NR1H4
SCHEMBL18049207 0.83 LOXL2 (0.56) ACACBACACANR1H4GRM2KDM1A
SCHEMBL16635208 0.83 TRPA1 (0.50) TRPA1SCN10AADORA3ABL1BCR
SCHEMBL18049103 0.82 NAMPT (0.46) ACACBACACAKDM1AHDAC1HDAC2
SCHEMBL16894106 0.81 TRPA1 (0.50) TRPA1ACACBACACAGRM2PTGES
SCHEMBL893297 0.79 TRPA1 (0.50) TRPA1SCN10AEPHX2HDAC1HDAC8
SCHEMBL3727154 0.79 TRPA1 (0.56) 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 4 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

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 1/4885SCN10A 176/4885ADORA3 257/4885

“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.