SCHEMBL5752910

SCHEMBL5752910

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccoc2)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
DAO P14920 7/20 0.35
MAOB P27338 1/20 0.35
ADORA2B P29275 2/20 0.34
CES2 O00748 1/20 0.34
ADORA2A P29274 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL5750594 0.85 MAOB (0.43) PPARGDAOMAOBCES2FFAR1
SCHEMBL5752541 0.82 MDM2 (0.41) PPARGDAOMAOBCES2
SCHEMBL5750557 0.82 MAOB (0.39) PPARGDAOMAOBCES2ADORA2A
SCHEMBL5752398 0.82 MDM2 (0.41) PPARGDAOMAOBCES2
SCHEMBL5753935 0.82 GRM5 (0.40) PPARGDAOMAOBCES2FFAR1
SCHEMBL5750910 0.81 MDM2 (0.43) PPARGDAOMAOBCES2
SCHEMBL5749586 0.80 GRM5 (0.44)
SCHEMBL5752410 0.79 MAOB (0.38) PPARGDAOMAOBCES2ADORA2A
SCHEMBL5752275 0.79 KCNA5 (0.40)
SCHEMBL5749416 0.78 MAPK14 (0.45) PPARGMAOBCES2FFAR1

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 PPARG 905/4885DAO 865/4885MAOB 3565/4885

“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.