SCHEMBL3400630

SCHEMBL3400630

CCC(=NO)/C(C)=C/c1ccc(F)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 1.00
SIGMAR1 Q99720 2/20 0.78
GABRA1 P14867 1/20 0.78
ABCB11 O95342 1/20 0.69
NFE2L2 Q16236 1/20 0.38
TUBB1 Q9H4B7 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL3400624 1.00 TRPA1 (1.00) TRPA1SIGMAR1GABRA1ABCB11NFE2L2
SCHEMBL3400635 1.00 TRPA1 (1.00) TRPA1SIGMAR1GABRA1ABCB11NFE2L2
A-226 SCHEMBL3405855 0.88 SIGMAR1 (1.00) TRPA1SIGMAR1GABRA1ABCB11HTT
A-226 SCHEMBL4455484 0.88 SIGMAR1 (1.00) TRPA1SIGMAR1GABRA1ABCB11HTT
A-226 SCHEMBL3405856 0.88 SIGMAR1 (1.00) TRPA1SIGMAR1GABRA1ABCB11HTT
SCHEMBL4455463 0.87 TRPA1 (1.00) TRPA1SIGMAR1GABRA1ABCB11
SCHEMBL4455471 0.87 TRPA1 (1.00) TRPA1SIGMAR1GABRA1ABCB11
SCHEMBL4455468 0.87 TRPA1 (1.00) TRPA1SIGMAR1GABRA1ABCB11
SCHEMBL4447574 0.84 TRPA1 (0.72) TRPA1SIGMAR1GABRA1ABCB11
SCHEMBL4447576 0.84 TRPA1 (0.72) TRPA1SIGMAR1GABRA1ABCB11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US claimed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 US claimed
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP disclosed
WO-2009089082-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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 (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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 TRPA1 1/4885SIGMAR1 303/4885GABRA1 723/4885

“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.