SCHEMBL894547

SCHEMBL894547

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TRPA1 O75762 15/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10201456 1.00 ATM (0.53) ATMTRPA1LMNATSHRL3MBTL1
SCHEMBL10164510 0.92 L3MBTL1 (0.57) ATMTRPA1LMNATSHRL3MBTL1
SCHEMBL10203410 0.91 TRPA1 (0.57) ATMTRPA1TSHR
SCHEMBL10201973 0.91 TRPA1 (0.56) ATMTRPA1TSHR
SCHEMBL894639 0.90 TRPA1 (0.51) ATMTRPA1TSHR
SCHEMBL893877 0.89 TRPA1 (0.49) TRPA1
SCHEMBL10201459 0.88 TRPA1 (0.52) ATMTRPA1POLB
SCHEMBL894344 0.88 TRPA1 (0.52) ATMTRPA1POLB
SCHEMBL894015 0.88 TRPA1 (0.46) TRPA1LMNA
SCHEMBL894046 0.88 TRPA1 (0.57) ATMTRPA1LMNAL3MBTL1POLB

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-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
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

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 ATM 2689/4885TRPA1 1/4885LMNA 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.