SCHEMBL893434

SCHEMBL893434

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL892367 0.94 TRPA1 (0.44) TRPA1HCRTR1HCRTR2POLB
SCHEMBL894008 0.94 TRPA1 (0.49) TRPA1ATMPOLB
SCHEMBL893957 0.92 POLB (0.44) TRPA1HCRTR1HCRTR2POLB
SCHEMBL893650 0.91 POLB (0.48) TRPA1ATMPOLB
SCHEMBL10203377 0.91 TRPA1 (0.47) TRPA1ATMPOLB
SCHEMBL894334 0.91 TRPA1 (0.47) TRPA1ATMPOLB
SCHEMBL893800 0.91 TRPA1 (0.43) TRPA1HCRTR1HCRTR2POLB
SCHEMBL893191 0.91 POLB (0.45) TRPA1POLB
SCHEMBL893640 0.90 TRPA1 (0.44) TRPA1ATMPOLB
SCHEMBL894046 0.90 TRPA1 (0.57) TRPA1ATMPOLB

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 1/4885HCRTR1 168/4885HCRTR2 120/4885

“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.