SCHEMBL4587872

SCHEMBL4587872

Fc1ccc(C2=CCN(CCc3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
MAPK1 P28482 1/20 0.53
PARP1 P09874 2/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.50
HTR1A P08908 1/20 0.50

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
Oxalic Acid SCHEMBL7393001 0.94 SIGMAR1 (0.64) SIGMAR1PARP1DRD2HTR1A
SCHEMBL30484775 0.87 SIGMAR1 (0.66) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL4587555 0.85 HTR7 (0.54) SIGMAR1MAPK1PARP1NPSR1TDP1
Hydrochloric Acid SCHEMBL7385918 0.84 HTR7 (0.53) SIGMAR1MAPK1PARP1NPSR1TDP1
Paliroden SCHEMBL29375649 0.82 HTR7 (0.53) SIGMAR1MAPK1PARP1DRD2DRD4
Paliroden SCHEMBL4587135 0.82 HTR7 (0.53) SIGMAR1MAPK1PARP1DRD2DRD4
Hydrochloric Acid SCHEMBL4587751 0.80 PPARG (0.51) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL4589104 0.80 PPARG (0.51) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL2395917 0.80 MAPK1 (0.69) SIGMAR1MAPK1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7389846 0.80 HTR7 (0.49) SIGMAR1MAPK1PARP1NPSR1TDP1

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 21 patents — showing the first 20. 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
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP 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
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 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-7320982-B2 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 SANOFI-AVENTIS (FR) 2008-01-22 US disclosed
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-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2004-08-12 US disclosed
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
EP-1017385-B1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI SYNTHELABO (FR) 2003-07-16 EP 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
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 US disclosed
US-6342505-B1 inhibiting apoptosis using xaliproden hydrochloride, or other tetrahydropyridine derivatives SANOFI-SYNTHELABO (FR) 2002-01-29 US 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 (3 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 1064/4885MAPK1 3177/4885PARP1 2473/4885
US-20050148614-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type ACHE, PSEN1, PSEN2 SIGMAR1 750/4885MAPK1 2638/4885PARP1 2574/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 SIGMAR1 1601/4885MAPK1 244/4885PARP1 1250/4885

“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.