SCHEMBL5752353

SCHEMBL5752353

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(F)cc2F)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
DAO P14920 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CHRM5 P08912 2/20 0.36
DPP4 P27487 1/20 0.35
PPARG P37231 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR1 O14842 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAOB P27338 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CES2 O00748 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
SCHEMBL5752410 0.87 MAOB (0.38) GRM5DAOCHRM5PPARGFFAR1
SCHEMBL5749586 0.85 GRM5 (0.44) GRM5
SCHEMBL5752541 0.83 MDM2 (0.41) GRM5DAOPPARGMAOBCES2
SCHEMBL5752398 0.83 MDM2 (0.41) GRM5DAOPPARGMAOBCES2
SCHEMBL5753935 0.80 GRM5 (0.40) GRM5DAOCHRM5PPARGFFAR1
SCHEMBL5749862 0.79 MAOB (0.43) DAOTRPV1MAOBPARP1PARP2
SCHEMBL5750594 0.78 MAOB (0.43) GRM5DAOPPARGFFAR1MAOB
SCHEMBL5752910 0.76 PPARG (0.36) DAOPPARGFFAR1MAOBCES2
SCHEMBL5750557 0.76 MAOB (0.39) GRM5DAOPPARGTRPV1MAOB
SCHEMBL5751179 0.75 DAO (0.43) GRM5DAO

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 GRM5 2869/4885DAO 865/4885LTB4R 2010/4885

“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.