SCHEMBL6437677

SCHEMBL6437677

Clc1cccc(C2=CCN(CCc3ccc(-c4ccccc4)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
PARP1 P09874 7/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46

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
SCHEMBL1138726 0.84 SIGMAR1 (0.47) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL7391601 0.84 SIGMAR1 (0.42) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL4589884 0.82 DRD4 (0.40) SIGMAR1DRD2DRD4DRD3
SCHEMBL4589196 0.82 DRD4 (0.57) SIGMAR1DRD2DRD4DRD3
SCHEMBL4587131 0.81 DRD4 (0.42) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL3453460 0.80 HRH3 (0.40) SIGMAR1DRD2DRD4DRD3PARP1
Hydrochloric Acid SCHEMBL4588498 0.80 DRD4 (0.41) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL6589037 0.79 SIGMAR1 (0.44) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL30484775 0.77 SIGMAR1 (0.66) SIGMAR1DRD2DRD4DRD3PARP1
SCHEMBL4587872 0.77 SIGMAR1 (0.60) SIGMAR1DRD2DRD4DRD3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148614-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type SANOFI-AVENTIS (FR) 2005-07-07 US claimed
US-20030092737-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type SANOFI-AVENTIS (FR) 2003-05-15 US claimed
EP-1030671-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 2000-08-30 EP claimed
WO-1999025363-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 1999-05-27 WO claimed
US-20050148614-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type SANOFI-AVENTIS (FR) 2005-07-07 US disclosed
US-20030092737-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type SANOFI-AVENTIS (FR) 2003-05-15 US disclosed
EP-0837848-B1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI SYNTHELABO (FR) 2002-09-11 EP disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
EP-1030671-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 2000-08-30 EP disclosed
US-5981754-A TREATMENT OF ANOXIA, ALZHEIMER'S DISEASE, SENILE DEMENTIA, SUBCORTICAL DEMENTIA SUCH AS HUNTINGTON'S CHOREA AND PARKINSON'S DISEASE, DEMENTIA CAUSED BY AIDS, NEUROPATHY SANOFI (FR) 1999-11-09 US disclosed
WO-1999025363-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 1999-05-27 WO disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 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-20030092737-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type ACHE, BCHE, PSEN1 SIGMAR1 1064/4885DRD2 130/4885DRD4 76/4885
US-20050148614-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type ACHE, PSEN1, PSEN2 SIGMAR1 750/4885DRD2 81/4885DRD4 66/4885

“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.