SCHEMBL893426

SCHEMBL893426

NCc1nccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.47
TOP1 P11387 3/20 0.44
KIF11 P52732 3/20 0.43
LTA4H P09960 1/20 0.42
MAOB P27338 2/20 0.40
S1PR1 P21453 2/20 0.40
DPP4 P27487 1/20 0.40
PARP1 P09874 1/20 0.39
S1PR3 Q99500 1/20 0.39
KDM1A O60341 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
NPBWR1 P48145 1/20 0.38
TLR8 Q9NR97 1/20 0.38
SCN9A Q15858 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL16618847 0.82 KMO (0.58) IRAK4MAOBKDM1ACCNT1CCNA2
SCHEMBL22738477 0.80 SCN5A (0.47) IRAK4MAOBCCNT1CCNA2CDK2
SCHEMBL27628639 0.80 TRPV3 (0.51) TRPV3TOP1KIF11LTA4HPARP1
SCHEMBL16538634 0.78 HSP90AA1 (0.59) TRPV3TOP1KIF11LTA4HCCNT1
SCHEMBL1514690 0.78 HSP90AA1 (0.58) IRAK4
SCHEMBL28267570 0.78 MEN1 (0.54) TRPV3TOP1KIF11S1PR1S1PR3
SCHEMBL15534703 0.75 KIF11 (0.47) TRPV3TOP1KIF11LTA4HMAOB
SCHEMBL443863 0.75 KIF11 (0.47) TRPV3TOP1KIF11S1PR1S1PR3
SCHEMBL31301320 0.75 KDM4E (0.54) TRPV3TOP1KIF11CDK2
SCHEMBL15888381 0.75 KDM4E (0.54) TRPV3TOP1KIF11CDK2

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
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
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 TRPV3 4/4885IRAK4 1283/4885TOP1 4571/4885

“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.