SCHEMBL1138726

SCHEMBL1138726

Clc1cccc(C2=CCN(CCc3cccc(-c4ccncc4)c3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.47
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 3/20 0.41
PARP1 P09874 4/20 0.39
LSS P48449 1/20 0.38
HTR1A P08908 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL6437677 0.84 SIGMAR1 (0.52) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL6589037 0.83 SIGMAR1 (0.44) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL4587131 0.78 DRD4 (0.42) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL1138424 0.78 SIGMAR1 (0.50) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL3453460 0.78 HRH3 (0.40) SIGMAR1DRD2DRD4DRD3PARP1
Hydrochloric Acid SCHEMBL4588498 0.78 DRD4 (0.41) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL4589196 0.75 DRD4 (0.57) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL1138426 0.75 SIGMAR1 (0.44) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL6543298 0.74 DRD4 (0.38) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL4589884 0.73 DRD4 (0.40) SIGMAR1DRD2DRD4DRD3HTR1A

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-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-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US 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 SIGMAR1 1207/4885DRD2 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.