SCHEMBL5753845

SCHEMBL5753845

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
MCHR1 Q99705 1/20 0.40
PTGER4 P35408 2/20 0.39
PTGDR Q13258 1/20 0.39
PDE2A O00408 2/20 0.39
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 1/20 0.38
HDAC2 Q92769 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
FFAR2 O15552 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SLC6A9 P48067 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
PYGL P06737 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL5751220 0.92 DRD4 (0.48) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5752263 0.92 DRD4 (0.48) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5750142 0.91 DRD4 (0.40) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5753159 0.91 DRD4 (0.39) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5751764 0.90 KDR (0.42) PDE2ACDK2FFAR2NOS3NOS1
SCHEMBL5753146 0.90 CCR3 (0.43) DRD4MCHR1
SCHEMBL5750131 0.86 MCHR1 (0.43) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5752750 0.86 PTGER4 (0.42) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5752112 0.85 DRD4 (0.50) DRD4MCHR1PTGER4PTGDRKIFC1
SCHEMBL5751322 0.85 ITGB1 (0.41) DRD4MCHR1PTGER4PTGDRNOS3

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 1838/4885MCHR1 1618/4885PTGER4 1632/4885

“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.