SCHEMBL5751847

SCHEMBL5751847

CC(C)(F)C(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
SLC1A1 P43005 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
ADRB1 P08588 1/20 0.32
MIF P14174 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AOC3 Q16853 1/20 0.31
HTT P42858 1/20 0.31
REN P00797 1/20 0.31
OPRK1 P41145 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
SCHEMBL5752561 0.83 ADRA2A (0.40) HTR2AHTR2BHTR2CSLC1A1KDM4E
SCHEMBL5750636 0.82 HTR2A (0.47) HTR2AHTR2BHTR2CSLC1A1ADRA2C
SCHEMBL5751666 0.82 SLC1A1 (0.43) SLC1A1KDM4EALDH1A1
SCHEMBL5750609 0.80 HTR2A (0.56) HTR2AHTR2BHTR2CADRA2CLMNA
SCHEMBL5750837 0.79 HTR2A (0.34) HTR2AHTR2BHTR2CSLC1A1KDM4E
SCHEMBL7125934 0.78 CETP (0.40) HTR2AHTR2BHTR2C
SCHEMBL5751816 0.78 CETP (0.40) HTR2AHTR2BHTR2C
SCHEMBL5749572 0.77 CETP (0.48)
SCHEMBL5752731 0.77 CETP (0.46)
SCHEMBL5750935 0.77 CETP (0.38) HTR2AHTR2BHTR2CSLC1A1KDM4E

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 HTR2A 705/4885HTR2B 872/4885HTR2C 770/4885

“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.