SCHEMBL4293073

SCHEMBL4293073

CCCC(=N\O)/C(C)=C/c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.68
SIGMAR1 Q99720 2/20 0.50
ABCB11 O95342 1/20 0.50
GABRA1 P14867 1/20 0.41
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL4293076 1.00 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL4293078 1.00 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667051 0.87 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL4297061 0.87 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667048 0.87 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667053 0.87 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL4448485 0.81 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL1499481 0.81 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL1499480 0.81 TRPA1 (1.00) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3668616 0.75 TRPA1 (0.61) TRPA1SIGMAR1ABCB11MAPTCYP19A1

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-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.