SCHEMBL5751601

SCHEMBL5751601

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1)c1ccc(F)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.35
SCN9A Q15858 1/20 0.34
CCR1 P32246 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSD P07339 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MCHR1 Q99705 1/20 0.32

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 0.89 CETP (0.35) CETPSCN9ACCR1ROCK2ROCK1
SCHEMBL5752003 0.89 CETP (0.42) CETPSCN9A
SCHEMBL5752979 0.88 ADRB1 (0.38) CETPSCN9ACTSVCTSLCTSS
SCHEMBL1900660 0.88 CETP (0.39) CETPSCN9A
SCHEMBL1900658 0.88 CETP (0.39) CETPSCN9A
SCHEMBL5754542 0.88 CETP (0.39) CETPSCN9A
SCHEMBL5752918 0.86 MAPK14 (0.42) CETP
SCHEMBL5752886 0.86 CETP (0.37) CETPSCN9ACTSVCTSLCTSS
SCHEMBL5750035 0.86 S1PR3 (0.37) CETPSCN9A
SCHEMBL5752782 0.85 CETP (0.36) CETPSCN9AMCHR1

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 CETP 1/4885SCN9A 3335/4885CCR1 1899/4885

“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.