SCHEMBL3453155

SCHEMBL3453155

FC(F)(F)c1cccc(C2=CCN(CCc3ccc4cc5c(cc4c3)CCC5)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.52
HTR1A P08908 10/20 0.52
DRD2 P14416 10/20 0.52
KCNH2 Q12809 3/20 0.47
HRH3 Q9Y5N1 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
PARP1 P09874 2/20 0.36
SLC6A4 P31645 2/20 0.34
DRD3 P35462 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL14277643 0.87 HRH3 (0.40) DRD4HTR1ADRD2KCNH2HRH3
SCHEMBL6589456 0.86 HTR1A (0.52) DRD4HTR1ADRD2KCNH2HRH3
SCHEMBL3453460 0.85 HRH3 (0.40) DRD4HTR1ADRD2HRH3SIGMAR1
SCHEMBL6586330 0.84 HTR1A (0.52) DRD4HTR1ADRD2KCNH2HRH3
SCHEMBL6602138 0.82 DRD4 (0.52) DRD4HTR1ADRD2KCNH2HRH3
SCHEMBL3453108 0.82 PPARG (0.48) HTR1AHRH3SIGMAR1PARP1
SCHEMBL5149479 0.82 HTR1A (0.53) DRD4HTR1ADRD2KCNH2SIGMAR1
SCHEMBL3453738 0.80 PPARG (0.49) HTR1AHRH3SIGMAR1PARP1
SCHEMBL1138642 0.78 DRD4 (0.52) DRD4HTR1ADRD2KCNH2SIGMAR1
SCHEMBL14277638 0.78 PARP1 (0.47) HTR1AKCNH2HRH3SIGMAR1PARP1

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 15 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-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 DRD4 1028/4885HTR1A 1262/4885DRD2 2099/4885
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them CYP3A43, CYCS, CCNY DRD4 429/4885HTR1A 357/4885DRD2 820/4885

“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.