SCHEMBL5750997

SCHEMBL5750997

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
CNR2 P34972 2/20 0.38
HSD17B2 P37059 3/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
UGCG Q16739 1/20 0.37
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
RAET1L Q5VY80 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CXCR5 P32302 1/20 0.36
DRD4 P21917 1/20 0.36
PDE2A O00408 1/20 0.36
NTRK1 P04629 1/20 0.36
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 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
SCHEMBL1900073 1.00 MCHR1 (0.49) MCHR1CNR2HSD17B2NOS3NOS1
SCHEMBL1900075 1.00 MCHR1 (0.49) MCHR1CNR2HSD17B2NOS3NOS1
SCHEMBL5750602 1.00 MCHR1 (0.49) MCHR1CNR2HSD17B2NOS3NOS1
SCHEMBL5750131 0.94 MCHR1 (0.43) MCHR1CNR2NOS3NOS1NOS2
SCHEMBL5749921 0.94 MCHR1 (0.50) MCHR1CNR2HSD17B2CXCR5DRD4
SCHEMBL5753741 0.93 MCHR1 (0.48) MCHR1CNR2HSD17B2UGCGKLRK1
SCHEMBL7122508 0.93 ALDH1A1 (0.41) MCHR1CNR2UGCGALDH1A1CXCR5
SCHEMBL5750055 0.92 MCHR1 (0.42) MCHR1ALDH1A1CXCR5
SCHEMBL5749986 0.92 MCHR1 (0.41) MCHR1CNR2HSD17B2NOS3NOS1
SCHEMBL5751434 0.91 MCHR1 (0.44) MCHR1CNR2HSD17B2NOS3NOS1

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 485/4885HSD17B2 344/4885

“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.