SCHEMBL5750131

SCHEMBL5750131

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
DRD4 P21917 1/20 0.38
P2RX7 Q99572 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
PTGER4 P35408 2/20 0.36
PTGDR Q13258 1/20 0.36
CCR1 P32246 1/20 0.36
PDE2A O00408 1/20 0.36
KIFC1 Q9BW19 1/20 0.35
CNR2 P34972 1/20 0.35
CDK2 P24941 1/20 0.35
SLC6A9 P48067 1/20 0.35
CTSA P10619 1/20 0.35
UGCG Q16739 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5750602 0.94 MCHR1 (0.49) MCHR1DRD4NOS3NOS1NOS2
SCHEMBL1900075 0.94 MCHR1 (0.49) MCHR1DRD4NOS3NOS1NOS2
SCHEMBL5750997 0.94 MCHR1 (0.49) MCHR1DRD4NOS3NOS1NOS2
SCHEMBL1900073 0.94 MCHR1 (0.49) MCHR1DRD4NOS3NOS1NOS2
SCHEMBL5751172 0.91 BACE1 (0.38) MCHR1PTGER4MAPT
SCHEMBL5751322 0.90 ITGB1 (0.41) MCHR1DRD4P2RX7NOS3NOS1
SCHEMBL5751220 0.90 DRD4 (0.48) MCHR1DRD4PTGER4PTGDRPDE2A
SCHEMBL5752263 0.90 DRD4 (0.48) MCHR1DRD4PTGER4PTGDRPDE2A
SCHEMBL5753540 0.90 TRPV1 (0.41) P2RX7NOS3NOS1NOS2PDE2A
SCHEMBL5749986 0.88 MCHR1 (0.41) MCHR1NOS3NOS1NOS2PTGER4

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 1618/4885DRD4 1838/4885P2RX7 4828/4885

“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.