SCHEMBL5753953

SCHEMBL5753953

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1c2ccccc2cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
UTS2R Q9UKP6 2/20 0.38
PIN1 Q13526 1/20 0.38
CNR2 P34972 1/20 0.38
FPR2 P25090 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SLC6A9 P48067 1/20 0.37
UGCG Q16739 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
DRD4 P21917 1/20 0.36
BCHE P06276 1/20 0.36
BACE1 P56817 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
SCHEMBL5753159 0.89 DRD4 (0.39) PDE2AUTS2RPIN1CNR2NOS3
SCHEMBL5786685 0.89 PDE2A (0.40) PDE2AUTS2RPIN1CNR2FPR2
SCHEMBL5750142 0.87 DRD4 (0.40) PDE2AUTS2RPIN1CNR2NOS3
SCHEMBL5752263 0.86 DRD4 (0.48) PDE2APIN1CNR2ALDH1A1DRD4
SCHEMBL5751220 0.86 DRD4 (0.48) PDE2APIN1CNR2ALDH1A1DRD4
SCHEMBL5752750 0.86 PTGER4 (0.42) PDE2AUTS2RPIN1CNR2DRD4
SCHEMBL5752476 0.85 CXCR5 (0.41) PDE2AUTS2RNOS3NOS1NOS2
SCHEMBL5753845 0.84 DRD4 (0.41) PDE2ANOS3NOS1NOS2SLC6A9
SCHEMBL5752315 0.84 CNR2 (0.45) CNR2FPR2NOS3NOS1NOS2
SCHEMBL5751154 0.84 PIN1 (0.55) UTS2RPIN1SLC6A9DRD4

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 PDE2A 2691/4885UTS2R 1794/4885PIN1 4717/4885

“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.