SCHEMBL5752834

SCHEMBL5752834

NC(Cc1ccc(Cl)c(OC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CETP P11597 3/20 0.33
OPRL1 P41146 1/20 0.32
SLC6A3 Q01959 5/20 0.32
CACNA1G O43497 2/20 0.31
KCNH2 Q12809 2/20 0.31
IDO1 P14902 2/20 0.31
PNMT P11086 1/20 0.31
HTR1A P08908 1/20 0.31
ADRB3 P13945 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL5751496 0.86 CARM1 (0.31) CETP
SCHEMBL5749815 0.84 RORC (0.36) EPHX1SLC6A3HRH1RORC
SCHEMBL5752024 0.82 EPHX1 (0.35) EPHX1CETPCNR1
SCHEMBL5749231 0.81 PTPN1 (0.39) CETPCNR1
SCHEMBL5754281 0.80 CYP4F2 (0.34) EPHX1ADRB3HRH1RORCCNR1
SCHEMBL5749572 0.79 CETP (0.48) CETP
SCHEMBL5754462 0.75 CETP (0.38) CETP
SCHEMBL5749249 0.74 TRPA1 (0.47) IDO1
SCHEMBL5750432 0.74 CETP (0.49) CETPCNR1
SCHEMBL5752082 0.73 RORC (0.36) RORCCNR1

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 EPHX1 1112/4885CETP 1/4885OPRL1 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.