SCHEMBL4599847

SCHEMBL4599847

N#Cc1ccc(-c2ccc(OC(F)(F)F)c(C=O)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.38
ERN1 O75460 3/20 0.36
KIF11 P52732 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EPAS1 Q99814 1/20 0.34
RORC P51449 1/20 0.34
TRPA1 O75762 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ACLY P53396 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL4599062 0.87 S1PR1 (0.38) PTGDR2PDE3BPDE3AEPAS1TRPA1
SCHEMBL4600016 0.87 AR (0.34) ERN1PTGDR2TRPA1SCN5ASCN9A
SCHEMBL4599724 0.85 ERN1 (0.48) SCN10AERN1
SCHEMBL4600184 0.84 KIF11 (0.43) ERN1KIF11PTGDR2EPAS1TRPA1
SCHEMBL15778027 0.84 EPAS1 (0.38) PTGDR2EPAS1TRPA1SCN5ASCN9A
SCHEMBL29354273 0.84 EPAS1 (0.38) PTGDR2EPAS1TRPA1SCN5ASCN9A
SCHEMBL5620852 0.83 PIM1 (0.43) ERN1ALOX5APFEN1PDE3BPDE3A
SCHEMBL4600254 0.81 ERN1 (0.40) ERN1ALOX5APFEN1PDE3BPDE3A
SCHEMBL14499530 0.81 SCN10A (0.40) SCN10AKIF11PTGDR2ALOX5APFEN1
SCHEMBL2460118 0.76 HRH4 (0.39) KIF11EPAS1TRPA1SCN5ASCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 SCN10A 629/4885ERN1 4124/4885KIF11 4168/4885

“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.