SCHEMBL894189

SCHEMBL894189

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3cccnc3)CC2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.40
EPAS1 Q99814 5/20 0.40
SRPK1 Q96SB4 2/20 0.39
TRPA1 O75762 3/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
TSHR P16473 1/20 0.34
TACR3 P29371 1/20 0.34

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
SCHEMBL893849 0.94 LMNA (0.40) SRPK1TRPA1SMN1; SMN2CHRM4
SCHEMBL893330 0.94 TRPA1 (0.39) HIF1AEPAS1SRPK1TRPA1CHRM4
SCHEMBL894255 0.89 TRPA1 (0.39) SRPK1TRPA1
SCHEMBL894375 0.89 TRPA1 (0.47) HIF1AEPAS1SRPK1TRPA1KDM4E
SCHEMBL894182 0.88 TSHR (0.46) HIF1AEPAS1SRPK1TRPA1TSHR
SCHEMBL894238 0.87 TRPA1 (0.42) TRPA1
SCHEMBL893811 0.87 TRPA1 (0.39) TRPA1KDM4ENAMPTMAPTSMN1; SMN2
SCHEMBL894890 0.87 TRPA1 (0.39) HIF1AEPAS1SRPK1TRPA1KDM4E
SCHEMBL893746 0.86 TRPA1 (0.39) TRPA1TSHR
SCHEMBL10164586 0.85 LMNA (0.41) TRPA1KDM4EMAPTSMN1; SMN2CHRM4

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 HIF1A 1598/4885EPAS1 610/4885SRPK1 4543/4885

“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.