SCHEMBL4296271

SCHEMBL4296271

CCC(=N\O)/C(C)=C/c1ccc(C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.58
SIGMAR1 Q99720 2/20 0.58
ABCB11 O95342 1/20 0.58
GABRA1 P14867 1/20 0.52
TRPV4 Q9HBA0 1/20 0.37
TRPV1 Q8NER1 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL4296276 1.00 TRPA1 (0.58) TRPA1SIGMAR1ABCB11GABRA1TRPV4
SCHEMBL4296275 1.00 TRPA1 (0.58) TRPA1SIGMAR1ABCB11GABRA1TRPV4
SCHEMBL4295971 0.81 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3673423 0.81 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3673422 0.81 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3667185 0.80 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3667187 0.80 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3667188 0.80 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1HTT
SCHEMBL3469572 0.77 AKR1C3 (0.47) TRPV4TRPV1MRGPRX4
SCHEMBL3469578 0.77 AKR1C3 (0.47) TRPV4TRPV1MRGPRX4

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-9751850-B2 TRPA1 antagonists ABBVIE INC. (US) 2017-09-05 US claimed
US-9751850-B2 TRPA1 antagonists ABBVIE INC. (US) 2017-09-05 US disclosed
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US disclosed
US-8877784-B2 TRPA1 antagonists ABBVIE INC. (US) 2014-11-04 US disclosed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US 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 (2 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-20150065538-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885SIGMAR1 266/4885ABCB11 700/4885
US-20090264480-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885SIGMAR1 266/4885ABCB11 700/4885

“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.