SCHEMBL894196

SCHEMBL894196

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccn3)CC2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.44
PKM P14618 1/20 0.42
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
SRPK2 P78362 1/20 0.40
DYRK1A Q13627 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SRPK3 Q9UPE1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL894519 0.92 TRPA1 (0.45) TRPA1
SCHEMBL894366 0.90 TRPA1 (0.45) TRPA1
SCHEMBL894182 0.89 TSHR (0.46) TRPA1SRPK1
SCHEMBL894161 0.89 TRPA1 (0.52) TRPA1PKM
SCHEMBL894255 0.88 TRPA1 (0.39) TRPA1CLK1CLK2SRPK2DYRK1A
SCHEMBL894626 0.88 TRPA1 (0.46) TRPA1
SCHEMBL894015 0.87 TRPA1 (0.46) TRPA1
SCHEMBL894163 0.86 TRPA1 (0.47) TRPA1
SCHEMBL894108 0.86 TRPA1 (0.47) TRPA1
SCHEMBL10164566 0.84 TRPA1 (0.41) 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 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 TRPA1 1/4885PKM 4223/4885CLK1 4301/4885

“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.