SCHEMBL894536

SCHEMBL894536

O=C(NCc1cc(-c2cccc(C(F)(F)F)c2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.54
ATM Q13315 1/20 0.52
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 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
SCHEMBL894046 0.93 TRPA1 (0.57) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL894160 0.92 ATM (0.55) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL894811 0.92 ATM (0.58) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL894091 0.91 ATM (0.54) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL893342 0.91 ATM (0.59) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL10203333 0.90 ATM (0.56) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL894329 0.90 TRPA1 (0.51) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL893675 0.90 ATM (0.57) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL893128 0.89 ATM (0.52) TRPA1ATMLMNAL3MBTL1POLB
SCHEMBL894049 0.89 TRPA1 (0.51) TRPA1ATMLMNAL3MBTL1POLB

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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

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 1/4885ATM 2689/4885LMNA 4619/4885

“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.