SCHEMBL14499403

SCHEMBL14499403

COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
PPARD Q03181 3/20 0.46
CTSA P10619 1/20 0.46
PPIB P23284 1/20 0.46
PPIA P62937 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN5A Q14524 3/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KIF11 P52732 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 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
SCHEMBL16945902 0.87 PTGS2 (0.46) MCHR1PPARDCTSAPPIBPPIA
SCHEMBL13098163 0.86 MCHR1 (0.51) MCHR1CTSAPPIBPPIAMEN1
SCHEMBL8302095 0.86 GPR3 (0.44) PPARDFFAR1FFAR4CA12CA9
SCHEMBL12989267 0.85 PDGFRB (0.44) MEN1ALDH1A1KMT2APDGFRBPDGFRA
SCHEMBL21615667 0.83 CYP17A1 (0.50) MCHR1PPARDCTSAPPIBPPIA
SCHEMBL1912033 0.82 DYRK1A (0.52) MEN1ALDH1A1KMT2APDGFRBPDGFRA
SCHEMBL15342387 0.82 DYRK1A (0.52) MEN1ALDH1A1KMT2APDGFRBPDGFRA
SCHEMBL12890142 0.82 ALDH1A1 (0.51) MCHR1CTSAPPIBPPIAMEN1
SCHEMBL12326161 0.80 PDGFRB (0.58) ALDH1A1PDGFRBPDGFRAFFAR1MAPT
SCHEMBL13580999 0.80 CHRNA7 (0.44) MCHR1CTSAPPIBPPIAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US 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 MCHR1 363/4885PPARD 1246/4885CTSA 891/4885

“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.