SCHEMBL3453108

SCHEMBL3453108

FC(F)(F)c1cccc(C2=CCN(CCc3ccc4cc5c(cc4c3)CCC5)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
HTR7 P34969 2/20 0.46
PARP1 P09874 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA3 P22001 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2C P28335 2/20 0.38
HTR1A P08908 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3453738 0.99 PPARG (0.49) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL3453515 0.91 PPARG (0.48) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL29377982 0.90 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL3452243 0.90 HTR7 (0.49) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL137094 0.90 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL9366593 0.89 PPARG (0.51) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL116721 0.89 SIGMAR1 (0.50) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL29393004 0.89 SIGMAR1 (0.50) PPARGPPARAHTR7PARP1SIGMAR1
Hydrochloric Acid SCHEMBL8742364 0.88 PPARG (0.50) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL1650254 0.88 SIGMAR1 (0.52) PPARGPPARAHTR7PARP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US claimed
EP-1438291-B1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-09-07 EP claimed
US-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-01-20 US claimed
EP-1438291-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-07-21 EP claimed
WO-2003033466-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-04-24 WO claimed
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
EP-1438291-B1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-09-07 EP disclosed
US-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-01-20 US disclosed
EP-1438291-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-07-21 EP disclosed
WO-2003033466-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-04-24 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 (2 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-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same CYCS, NADK, CYP2F1 PPARG 1845/4885PPARA 2208/4885HTR7 923/4885
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them CYP3A43, CYCS, CCNY PPARG 2656/4885PPARA 2916/4885HTR7 493/4885

“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.