SCHEMBL1138533

SCHEMBL1138533

FC(F)(F)c1cccc(C2=CCN(CCc3cccc(-c4cccnc4)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
GRIN2B Q13224 4/20 0.42
GRIN1 Q05586 3/20 0.42
NPY5R Q15761 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
AOC3 Q16853 1/20 0.41
PARP1 P09874 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL10970693 0.93 KDM4E (0.48) HTR7DRD2DRD4DRD3PPARG
SCHEMBL1138418 0.92 PPARG (0.46) HTR7DRD2DRD4DRD3PPARG
Hydrochloric Acid SCHEMBL10936383 0.92 KDM4E (0.47) HTR7DRD2DRD4DRD3PPARG
Water SCHEMBL9501517 0.92 KDM4E (0.47) HTR7DRD2DRD4DRD3PPARG
Hydrochloric Acid SCHEMBL9485699 0.91 KDM4E (0.47) HTR7DRD2DRD4DRD3PPARG
SCHEMBL1138424 0.90 SIGMAR1 (0.50) HTR7DRD2DRD4DRD3PPARG
SCHEMBL4588554 0.88 HTR7 (0.52) HTR7DRD2DRD4DRD3PPARG
SCHEMBL1138454 0.88 PPARG (0.46) HTR7DRD2DRD4DRD3PPARG
SCHEMBL1138355 0.88 PPARG (0.46) HTR7DRD2DRD4DRD3PPARG
SCHEMBL1138823 0.87 PPARG (0.46) HTR7DRD2DRD4DRD3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448550-B1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY SANOFI AVENTIS (FR) 2011-02-23 EP claimed
US-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US claimed
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity SANOFI-AVENTIS (FR) 2005-01-06 US claimed
EP-1448550-A1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY Sanofi-Aventis (FR) 2004-08-25 EP claimed
WO-2003044010-A1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY SANOFI-SYNTHELABO (FR) 2003-05-30 WO claimed
EP-1448550-B1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY SANOFI AVENTIS (FR) 2011-02-23 EP disclosed
US-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US disclosed
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity SANOFI-AVENTIS (FR) 2005-01-06 US disclosed
EP-1448550-A1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY Sanofi-Aventis (FR) 2004-08-25 EP disclosed
WO-2003044010-A1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY SANOFI-SYNTHELABO (FR) 2003-05-30 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-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity TNF, TNFRSF1A, NFKBIA HTR7 1941/4885DRD2 1380/4885DRD4 949/4885

“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.