SCHEMBL893768

SCHEMBL893768

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.53
ALDH1A1 P00352 1/20 0.52
JAK2 O60674 2/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL894253 0.87 ALDH1A1 (0.53) TRPA1ALDH1A1JAK2LMNANPSR1
SCHEMBL3728015 0.86 ALDH1A1 (0.52) TRPA1ALDH1A1JAK2LMNANPSR1
SCHEMBL18290454 0.84 TRPA1 (0.59) TRPA1
SCHEMBL893264 0.80 ALDH1A1 (0.54) ALDH1A1LMNANPSR1
SCHEMBL893970 0.80 TRPA1 (0.79) TRPA1
SCHEMBL28449589 0.79 ALDH1A1 (0.56) ALDH1A1LMNANPSR1
SCHEMBL20811541 0.79 ALDH1A1 (0.56) ALDH1A1LMNANPSR1
SCHEMBL893764 0.79 TRPA1 (0.62) TRPA1ALDH1A1LMNA
SCHEMBL894186 0.78 TRPA1 (0.73) TRPA1
SCHEMBL894647 0.78 TRPA1 (0.70) TRPA1

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-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885ALDH1A1 1469/4885JAK2 1588/4885

“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.