SCHEMBL5752979

SCHEMBL5752979

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1cccc(Cl)c1)c1ccc(F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
CETP P11597 8/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 2/20 0.36
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
SCN9A Q15858 1/20 0.36
UGCG Q16739 1/20 0.34
DCAF1 Q9Y4B6 2/20 0.34

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
SCHEMBL5752003 0.92 CETP (0.42) CETPCNR1CNR2SCN9AUGCG
SCHEMBL1900660 0.90 CETP (0.39) CETPSCN9A
SCHEMBL1900658 0.90 CETP (0.39) CETPSCN9A
SCHEMBL5754542 0.90 CETP (0.39) CETPSCN9A
SCHEMBL5752918 0.88 MAPK14 (0.42) CETP
SCHEMBL5752886 0.88 CETP (0.37) CETPCTSVCTSLCTSSSCN9A
SCHEMBL5751601 0.88 CETP (0.35) CETPCTSVCTSLCTSSSCN9A
SCHEMBL5749925 0.86 CETP (0.35) CETPSCN9A
SCHEMBL5752012 0.86 ADRB1 (0.37) ADRB1ADRB3CNR1CNR2CTSB
SCHEMBL5749779 0.85 CETP (0.40) CETPSCN9A

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 ADRB1 57/4885ADRB3 85/4885CETP 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.