SCHEMBL5753905

SCHEMBL5753905

O=C(O)N1C(=O)OC(c2ccc(Oc3ccccn3)cc2)C1Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.38
MGLL Q99685 1/20 0.38
CHRM5 P08912 1/20 0.38
BRS3 P32247 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
LIPE Q05469 1/20 0.33
MAPK14 Q16539 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL5753117 0.86 CETP (0.46) CETP
SCHEMBL5752033 0.83 CETP (0.39) CETPHCRTR1HCRTR2MAPK14
SCHEMBL7123401 0.83 HCRTR1 (0.38) CETPHCRTR1HCRTR2
SCHEMBL7117716 0.83 CETP (0.37) CETPHCRTR1HCRTR2
SCHEMBL5753523 0.82 HCRTR1 (0.37) CETPHCRTR1HCRTR2
SCHEMBL5750077 0.82 CETP (0.38) CETPHCRTR1HCRTR2
SCHEMBL5749800 0.81 HCRTR1 (0.40) CETPHCRTR1HCRTR2MAPK14
SCHEMBL5755843 0.79 CHRM5 (0.39) CETPMGLLCHRM5BRS3
SCHEMBL7124598 0.77 CETP (0.38) CETPHCRTR1HCRTR2
SCHEMBL5754477 0.76 CETP (0.37) CETPHCRTR1HCRTR2

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 CETP 1/4885MGLL 67/4885CHRM5 4067/4885

“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.