SCHEMBL5753401

SCHEMBL5753401

NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
PNMT P11086 1/20 0.41
CASR P41180 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FFAR2 O15552 1/20 0.39
AOC3 Q16853 1/20 0.38
MTOR P42345 1/20 0.38
ACP3 P15309 2/20 0.38
CETP P11597 1/20 0.38
PDE2A O00408 1/20 0.36

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
SCHEMBL5755207 0.84 PPARG (0.43) ACP3
SCHEMBL5751727 0.83 TRPA1 (0.39)
SCHEMBL6578585 0.83 TRPA1 (0.39)
SCHEMBL5750053 0.83 TRPA1 (0.39)
SCHEMBL5753231 0.82 PDE2A (0.40) PDE2A
Hydrochloric Acid SCHEMBL5751082 0.82 TACR1 (0.39)
SCHEMBL5749024 0.81 OPRM1 (0.47) SLC7A5OPRM1OPRL1FFAR2MTOR
SCHEMBL5752817 0.78 PDE2A (0.49) PDE2A
SCHEMBL5750512 0.77 AKT1 (0.41) FFAR2
SCHEMBL5750538 0.76 CNR2 (0.49) OPRL1FFAR2

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 SLC7A5 264/4885OPRM1 2976/4885OPRL1 1125/4885

“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.