SCHEMBL892367

SCHEMBL892367

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ccccc3F)CC2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.44
KCNQ1 P51787 1/20 0.43
POLB P06746 2/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL893800 0.95 TRPA1 (0.43) TRPA1POLBHCRTR1HCRTR2USP2
SCHEMBL893650 0.94 POLB (0.48) TRPA1POLBUSP2LMNAMAPT
SCHEMBL894134 0.94 HSD11B1 (0.44) TRPA1POLBHCRTR1HCRTR2USP2
SCHEMBL893434 0.94 TRPA1 (0.47) TRPA1POLBHCRTR1HCRTR2
SCHEMBL893191 0.93 POLB (0.45) TRPA1POLBLMNAHTTSMN1; SMN2
SCHEMBL893957 0.92 POLB (0.44) TRPA1POLBHCRTR1HCRTR2LMNA
SCHEMBL894023 0.92 TRPA1 (0.45) TRPA1KCNQ1POLBHCRTR1USP2
SCHEMBL893895 0.91 TRPA1 (0.48) TRPA1KCNQ1POLBLMNAMAPT
SCHEMBL894008 0.91 TRPA1 (0.49) TRPA1POLB
SCHEMBL893640 0.91 TRPA1 (0.44) TRPA1POLBLMNAHTTSMN1; SMN2

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 1/4885KCNQ1 300/4885POLB 4754/4885

“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.