SCHEMBL5751785

SCHEMBL5751785

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(-c2ccccc2)nc1)c1ccc(F)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
TACR3 P29371 4/20 0.36
CETP P11597 11/20 0.35
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HPGDS O60760 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL5749925 0.91 CETP (0.35) SCN9ACETPROCK2ROCK1
SCHEMBL5752886 0.89 CETP (0.37) SCN9ACETPCTSVCTSLCTSS
SCHEMBL5752918 0.87 MAPK14 (0.42) CETP
SCHEMBL1900660 0.87 CETP (0.39) SCN9ACETP
SCHEMBL5754542 0.87 CETP (0.39) SCN9ACETP
SCHEMBL1900658 0.87 CETP (0.39) SCN9ACETP
SCHEMBL5751601 0.85 CETP (0.35) SCN9ACETPROCK2ROCK1CTSV
SCHEMBL5752003 0.84 CETP (0.42) SCN9ACETP
SCHEMBL5752979 0.84 ADRB1 (0.38) SCN9ACETPCTSVCTSLCTSS
SCHEMBL5750035 0.83 S1PR3 (0.37) SCN9ACETPS1PR3

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 SCN9A 3335/4885TACR3 4837/4885CETP 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.