SCHEMBL5752544

SCHEMBL5752544

NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
EEF2K O00418 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC4 P56524 1/20 0.37
MAOB P27338 1/20 0.36
PTPN1 P18031 1/20 0.36
IDO1 P14902 4/20 0.36
GRB2 P62993 1/20 0.35
TDO2 P48775 1/20 0.35
KIF11 P52732 1/20 0.35
FPR2 P25090 1/20 0.35
DPP4 P27487 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL5752817 0.83 PDE2A (0.49) PDE2ATAAR1MAOBIDO1GRB2
Hydrochloric Acid SCHEMBL5751811 0.81 HTT (0.42) IDO1HTR2AHTR2CHTR2B
SCHEMBL5755207 0.81 PPARG (0.43) PPARGPPARAPTPN1GRB2
SCHEMBL5752822 0.80 PPARG (0.47) EEF2KPPARGPPARAHDAC4PTPN1
SCHEMBL5751727 0.77 TRPA1 (0.39) TAAR1IDO1GRB2
SCHEMBL6578585 0.77 TRPA1 (0.39) TAAR1IDO1GRB2
SCHEMBL5750053 0.77 TRPA1 (0.39) TAAR1IDO1GRB2
SCHEMBL5753231 0.76 PDE2A (0.40) PDE2ATAAR1PPARGPPARAMAOB
Hydrochloric Acid SCHEMBL5751082 0.75 TACR1 (0.39) TAAR1MAOBIDO1
SCHEMBL5753401 0.75 SLC7A5 (0.45) PDE2AHTR2AHTR2CHTR2B

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 PDE2A 2691/4885TAAR1 489/4885EEF2K 1119/4885

“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.