SCHEMBL5753159

SCHEMBL5753159

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cc(F)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
PDE2A O00408 2/20 0.39
MCHR1 Q99705 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
PTGER4 P35408 2/20 0.38
PIN1 Q13526 1/20 0.37
CNR2 P34972 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SLC6A9 P48067 1/20 0.37
CDK2 P24941 1/20 0.37
UGCG Q16739 1/20 0.36
PYGL P06737 1/20 0.36
PTGDR Q13258 1/20 0.36
HAT1 O14929 1/20 0.35
EP300 Q09472 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
SCHEMBL5752750 0.93 PTGER4 (0.42) DRD4PDE2AMCHR1UTS2RPTGER4
SCHEMBL5753845 0.91 DRD4 (0.41) DRD4PDE2AMCHR1PTGER4NOS3
SCHEMBL5752263 0.91 DRD4 (0.48) DRD4PDE2AMCHR1PTGER4PIN1
SCHEMBL5751220 0.91 DRD4 (0.48) DRD4PDE2AMCHR1PTGER4PIN1
SCHEMBL5753826 0.89 CCR3 (0.40) DRD4PDE2AMCHR1
SCHEMBL5753953 0.89 PDE2A (0.40) DRD4PDE2AUTS2RPIN1CNR2
SCHEMBL5750142 0.89 DRD4 (0.40) DRD4PDE2AMCHR1UTS2RPTGER4
SCHEMBL5750997 0.85 MCHR1 (0.49) DRD4PDE2AMCHR1CNR2NOS3
SCHEMBL1900075 0.85 MCHR1 (0.49) DRD4PDE2AMCHR1CNR2NOS3
SCHEMBL5749986 0.85 MCHR1 (0.41) PDE2AMCHR1PTGER4CNR2NOS3

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 1838/4885PDE2A 2691/4885MCHR1 1618/4885

“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.