SCHEMBL2986

SCHEMBL2986

CN(c1ccc(F)cc1)[C@@H]1CCC[C@H]2OCCC[C@@]21O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.52
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11895279 1.00 TRPA1 (0.52) TRPA1DDB1CRBNPOLBRAB9A
SCHEMBL11967090 0.90 TRPA1 (0.55) TRPA1DDB1CRBNPOLB
SCHEMBL14642 0.90 TRPA1 (0.55) TRPA1DDB1CRBNPOLB
SCHEMBL11895462 0.78 TRPA1 (0.45) TRPA1DDB1CRBNPOLB
SCHEMBL11894853 0.75 TRPA1 (0.42) TRPA1DDB1CRBN
SCHEMBL15810180 0.75 TRPA1 (0.42) TRPA1DDB1CRBN
SCHEMBL11967563 0.72 TRPA1 (0.64) TRPA1DDB1CRBNPOLBRAB9A
SCHEMBL11967351 0.72 TRPA1 (0.64) TRPA1DDB1CRBNPOLBRAB9A
SCHEMBL11967544 0.72 TRPA1 (0.64) TRPA1DDB1CRBNPOLBRAB9A
SCHEMBL2133 0.72 TRPA1 (0.64) TRPA1DDB1CRBNPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP claimed
EP-2485737-A1 NOVEL TRPA1 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-08-15 EP claimed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 US claimed
WO-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 WO claimed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 US disclosed
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 1/4885DDB1 2918/4885CRBN 4221/4885

“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.