SCHEMBL5749902

SCHEMBL5749902

O=C(NC(Cc1ccc(OC(F)(F)C(F)F)cc1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
MCHR1 Q99705 1/20 0.37
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CXCR5 P32302 1/20 0.34
CNR2 P34972 2/20 0.33
FPR2 P25090 1/20 0.33
UGCG Q16739 2/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MAPK10 P53779 1/20 0.33
GPR34 Q9UPC5 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
SCHEMBL5752339 0.93 CNR1 (0.39) CNR1MCHR1FPR2UGCGUSP30
SCHEMBL1900660 0.90 CETP (0.39) SCN9AMAPT
SCHEMBL1900658 0.90 CETP (0.39) SCN9AMAPT
SCHEMBL5754542 0.90 CETP (0.39) SCN9AMAPT
SCHEMBL7122508 0.88 ALDH1A1 (0.41) MCHR1ALDH1A1CXCR5CNR2UGCG
SCHEMBL5751303 0.88 BACE1 (0.34) MCHR1SCN9A
SCHEMBL5753193 0.87 EPHX2 (0.40) CNR1ALDH1A1CXCR5CNR2
SCHEMBL5749845 0.87 GAA (0.44) ALDH1A1HTT
SCHEMBL5751502 0.86 ALDH1A1 (0.38) MCHR1SCN9AALDH1A1CXCR5CNR2
SCHEMBL5752082 0.86 RORC (0.36) CNR1MCHR1

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 CNR1 401/4885MCHR1 1618/4885SCN9A 3335/4885

“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.