SCHEMBL5753741

SCHEMBL5753741

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
CNR2 P34972 3/20 0.45
KLRK1 P26718 1/20 0.44
MICA Q29983 1/20 0.44
RAET1L Q5VY80 1/20 0.44
HSD17B2 P37059 3/20 0.43
CNR1 P21554 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PSMB5 P28074 1/20 0.40
UTS2R Q9UKP6 3/20 0.39
DRD4 P21917 1/20 0.38
FFAR2 O15552 2/20 0.37
UGCG Q16739 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL1900075 0.93 MCHR1 (0.49) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL5750997 0.93 MCHR1 (0.49) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL5750602 0.93 MCHR1 (0.49) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL1900073 0.93 MCHR1 (0.49) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL5749921 0.93 MCHR1 (0.50) MCHR1CNR2HSD17B2CNR1PPARG
SCHEMBL5753372 0.90 MCHR1 (0.48) MCHR1KLRK1MICARAET1LDRD4
SCHEMBL5754521 0.90 MCHR1 (0.48) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL5753359 0.90 MCHR1 (0.48) MCHR1KLRK1MICARAET1LDRD4
SCHEMBL5751737 0.89 MCHR1 (0.44) MCHR1CNR2KLRK1MICARAET1L
SCHEMBL5752254 0.89 MAPK14 (0.48) MCHR1CNR2HSD17B2CNR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MCHR1 1618/4885CNR2 485/4885KLRK1 4441/4885

“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.