SCHEMBL5753545

SCHEMBL5753545

CN(C(=O)c1cccc2ccccc12)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
CNR2 P34972 2/20 0.37
MCHR1 Q99705 1/20 0.37
SLC6A9 P48067 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
C5AR1 P21730 1/20 0.36
CXCR3 P49682 1/20 0.36
TACR1 P25103 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
SCHEMBL5753299 0.81 SLC6A4 (0.40) OPRM1OPRL1UTS2RMCHR1SLC6A9
SCHEMBL5751220 0.78 DRD4 (0.48) DRD4CNR2MCHR1GAAMAPT
SCHEMBL5752263 0.78 DRD4 (0.48) DRD4CNR2MCHR1GAAMAPT
SCHEMBL5753177 0.74 NOS3 (0.39) CNR2SLC6A9TDP1
SCHEMBL3051264 0.72 F7 (0.42) OPRM1CNR2F2F10F7
SCHEMBL3048359 0.72 F7 (0.42) OPRM1CNR2F2F10F7
SCHEMBL3048355 0.72 F7 (0.44) OPRM1CNR2F2F10F7
SCHEMBL3051263 0.72 F7 (0.44) OPRM1CNR2F2F10F7
SCHEMBL5823913 0.72 MCHR1 (0.44) DRD4CNR2MCHR1SLC6A9SLC6A4
SCHEMBL5753159 0.72 DRD4 (0.39) DRD4UTS2RCNR2MCHR1SLC6A9

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 DRD4 1838/4885OPRM1 2976/4885OPRL1 1125/4885

“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.