SCHEMBL11966013

SCHEMBL11966013

OC12CCCC[C@@H]1CCC[C@H]2Nc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 1.00
TRPC5 Q9UL62 2/20 0.62
ESR1 P03372 1/20 0.62
PGR P06401 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HRH2 P25021 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL11954712 1.00 TRPA1 (1.00) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL3256 1.00 TRPA1 (1.00) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11895295 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11896111 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11896268 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11895412 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11967505 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11954713 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11895629 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A
SCHEMBL11966306 0.85 TRPA1 (0.74) TRPA1TRPC5ESR1PGRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885TRPC5 15/4885ESR1 3872/4885

“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.