SCHEMBL5753082

SCHEMBL5753082

O=C1NC(Cc2cccc(OC(F)(F)F)c2)C(c2ccc(F)cc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
MAOB P27338 1/20 0.39
CETP P11597 2/20 0.38
SLC6A9 P48067 1/20 0.37
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
BRAF P15056 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.35
OPRM1 P35372 1/20 0.35
MMP13 P45452 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
SCHEMBL5751660 0.90 CETP (0.44) DAOCETPHCRTR1HCRTR2GRM5
SCHEMBL5751945 0.90 DAO (0.35) DAOMAOBTSHRGRM5MMP13
SCHEMBL5753095 0.90 MDM2 (0.43) DAOHCRTR1HCRTR2GRM5
SCHEMBL5751128 0.87 HCRTR1 (0.39) DAOHCRTR1HCRTR2MAPTHTT
SCHEMBL5753180 0.85 MMP13 (0.41) DAOMAOBGRM5MMP13
SCHEMBL5754626 0.83 HCRTR1 (0.37) DAOHCRTR1HCRTR2TSHRGRM5
SCHEMBL5751976 0.83 HTR1A (0.42) DAOMAOBCETPHCRTR1HCRTR2
SCHEMBL5751179 0.83 DAO (0.43) DAOGRM5
SCHEMBL5751029 0.82 MDM2 (0.47) DAOGAAGRM5
SCHEMBL5754136 0.81 MDM2 (0.39) DAOCETPHCRTR1HCRTR2

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 DAO 865/4885MAOB 3565/4885CETP 1/4885

“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.