SCHEMBL893849

SCHEMBL893849

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 6/20 0.39
TRPA1 O75762 2/20 0.39
GLS O94925 1/20 0.38
CHRM2 P08172 4/20 0.37
CHRM1 P11229 2/20 0.37
TACR1 P25103 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL893330 0.95 TRPA1 (0.39) LMNACHRM4TRPA1SRPK1
SCHEMBL894189 0.94 HIF1A (0.40) SMN1; SMN2CHRM4TRPA1SRPK1
SCHEMBL894255 0.93 TRPA1 (0.39) TRPA1SRPK1
SCHEMBL10164586 0.91 LMNA (0.41) LMNAMAPK1SMN1; SMN2CHRM4TRPA1
SCHEMBL893746 0.90 TRPA1 (0.39) TRPA1TACR1
SCHEMBL894238 0.90 TRPA1 (0.42) LMNATRPA1TACR1DRD2
SCHEMBL893951 0.88 TRPA1 (0.51) LMNAMAPK1SMN1; SMN2CHRM4TRPA1
SCHEMBL894519 0.88 TRPA1 (0.45) TRPA1
SCHEMBL893858 0.87 VCP (0.44) TRPA1PPARG
SCHEMBL10202205 0.87 VCP (0.44) TRPA1PPARG

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 8 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
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
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 LMNA 4619/4885MAPK1 1950/4885SMN1; SMN2 2836/4885

“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.