SCHEMBL5155779

SCHEMBL5155779

FC(F)(F)c1cccc(C2=CCN(CCc3ccc4cc[nH]c4c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
HTR7 P34969 2/20 0.48
PARP1 P09874 4/20 0.46
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
KCNA3 P22001 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL5149359 0.93 PARP1 (0.48) PPARGPPARAHTR7PARP1HTR1A
Xaliproden SCHEMBL137094 0.86 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1HTR1A
Xaliproden SCHEMBL29377982 0.86 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1HTR1A
Xaliproden SCHEMBL29393004 0.85 SIGMAR1 (0.50) PPARGPPARAHTR7PARP1HTR1A
Xaliproden SCHEMBL116721 0.85 SIGMAR1 (0.50) PPARGPPARAHTR7PARP1HTR1A
Xaliproden SCHEMBL1650254 0.84 SIGMAR1 (0.52) PPARGPPARAHTR7PARP1HTR1A
SCHEMBL5149422 0.84 DRD4 (0.49) PPARGPPARAHTR7PARP1HTR1A
SCHEMBL4587500 0.83 HTR7 (0.52) PPARGPPARAHTR7PARP1DRD2
SCHEMBL5149448 0.83 PPARG (0.47) PPARGPPARAHTR7PARP1HTR1A
SCHEMBL9366593 0.83 PPARG (0.51) PPARGPPARAHTR7PARP1HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383762-B1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-06-20 EP claimed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 US claimed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 US claimed
EP-1383762-B1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-06-20 EP disclosed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 US disclosed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 US disclosed
EP-1383762-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-28 EP disclosed
WO-2002085888-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-31 WO 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-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same CYP2F1, CYP11B1, CYP11B2 PPARG 1525/4885PPARA 1964/4885HTR7 978/4885

“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.