SCHEMBL5750837

SCHEMBL5750837

NC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC1A1 P43005 2/20 0.33
REN P00797 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CSNK1E P49674 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 1/20 0.31
CETP P11597 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL5753859 0.82 HTR1A (0.46) HTR2AHTR2CALDH1A1NPSR1CETP
SCHEMBL5752490 0.82 SLC1A1 (0.44) SLC1A1KDM4EALDH1A1NPSR1PPARG
SCHEMBL5750609 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BCETP
SCHEMBL5749572 0.81 CETP (0.48) CETP
SCHEMBL5751847 0.79 HTR2A (0.36) HTR2AHTR2CHTR2BSLC1A1REN
SCHEMBL5750636 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BSLC1A1CETP
SCHEMBL5752731 0.78 CETP (0.46) CETP
SCHEMBL5750935 0.78 CETP (0.38) HTR2AHTR2CHTR2BSLC1A1KDM4E
SCHEMBL5752561 0.76 ADRA2A (0.40) HTR2AHTR2CHTR2BSLC1A1KDM4E
SCHEMBL5752681 0.76 CYP17A1 (0.44) HTR2AHTR2CHTR2BHTTALDH1A1

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 705/4885HTR2C 770/4885HTR2B 872/4885

“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.