SCHEMBL893298

SCHEMBL893298

CC(C)(C)OC(=O)[N+]1(C(=O)NCc2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.43
HDAC1 Q13547 3/20 0.38
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PTGES O14684 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ABL1 P00519 1/20 0.37
KDM1A O60341 2/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAT2A P31153 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
SCHEMBL893707 0.89 HDAC1 (0.46) TRPA1HDAC1PTGESABL1KDM1A
SCHEMBL3721344 0.85 NTRK1 (0.38) SCN10AROCK1ROCK2EPHX2NR1H4
SCHEMBL894045 0.83 TRPA1 (0.50) TRPA1SCN10AHDAC1ROCK1ROCK2
SCHEMBL893297 0.76 TRPA1 (0.50) TRPA1SCN10AHDAC1EPHX2HDAC8
SCHEMBL3727154 0.74 TRPA1 (0.56) TRPA1HDAC1
SCHEMBL3724741 0.74 PSEN1 (0.37) TRPA1HDAC1KDM1APPARDPPARA
SCHEMBL893953 0.73 TRPA1 (0.52) TRPA1SCN10AHDAC1HDAC8ABHD6
SCHEMBL18223585 0.73 ACACB (0.43) TRPA1HDAC1KDM1AHDAC2HDAC8
SCHEMBL8269810 0.72 SCN10A (0.54) TRPA1SCN10AABL1KDM5AKDM2B
SCHEMBL893757 0.71 HDAC1 (0.53) HDAC1KDM1AHDAC2HDAC8HDAC6

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 1/4885SCN10A 176/4885HDAC1 297/4885

“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.