SCHEMBL5753769

SCHEMBL5753769

O=C(Cc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.61
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
FFAR2 O15552 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.47
UTS2R Q9UKP6 1/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
BACE1 P56817 1/20 0.44
UGCG Q16739 1/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL5753673 0.89 FFAR2 (0.52) CNR2ALDH1A1KDM4EFFAR2CYP3A4
SCHEMBL5751792 0.87 LMNA (0.49) CNR2FFAR2CYP3A4CYP2C9CYP2C19
SCHEMBL5755551 0.87 LMNA (0.49) CNR2FFAR2CYP3A4CYP2C9CYP2C19
SCHEMBL5751263 0.86 LMNA (0.46) CNR2FFAR2CYP3A4CYP2C9CYP2C19
SCHEMBL5752315 0.86 CNR2 (0.45) CNR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6580474 0.86 NOS3 (0.44) CNR2UGCGPPARGPPARA
SCHEMBL5752076 0.86 NOS3 (0.44) CNR2UGCGPPARGPPARA
SCHEMBL5752644 0.85 NOS3 (0.42) CNR2HTTBACE1UGCG
SCHEMBL5751360 0.85 NOS3 (0.42) CNR2FFAR2HTTBACE1UGCG
SCHEMBL5750842 0.85 KMT2A (0.50) CNR2ALDH1A1FFAR2HTTUTS2R

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 CNR2 485/4885ALDH1A1 783/4885KDM4E 244/4885

“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.