SCHEMBL5753231

SCHEMBL5753231

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CNR2 P34972 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ADAM17 P78536 1/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
IDO1 P14902 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRB2 P62993 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
SCHEMBL6578585 0.84 TRPA1 (0.39) TAAR1IDO1CES2CES1GRB2
SCHEMBL5751727 0.84 TRPA1 (0.39) TAAR1IDO1CES2CES1GRB2
SCHEMBL5750053 0.84 TRPA1 (0.39) TAAR1IDO1CES2CES1GRB2
Hydrochloric Acid SCHEMBL5751082 0.83 TACR1 (0.39) TAAR1MAOBIDO1CES2CES1
SCHEMBL5750538 0.83 CNR2 (0.49) TAAR1CNR2PPARGPPARA
SCHEMBL5753401 0.82 SLC7A5 (0.45) PDE2A
SCHEMBL5751870 0.80 AKR1C3 (0.47) PDE2ACNR2AKR1C3AKR1C2PPARG
SCHEMBL5755207 0.80 PPARG (0.43) PPARGPPARAGRB2
SCHEMBL5750512 0.78 AKT1 (0.41) TAAR1IDO1GRB2
SCHEMBL5751819 0.77 CYP2D6 (0.51) PPARGPPARA

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 489/4885CNR2 485/4885

“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.