SCHEMBL4594875

SCHEMBL4594875

CCCCCC1CC=CCN1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR2 O95136 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GLB1 P16278 4/20 0.34
GBA1 P04062 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
GUSB P08236 1/20 0.33
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GBA2 Q9HCG7 2/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8169123 0.94 GLB1 (0.39) GLB1
SCHEMBL14498326 0.87
SCHEMBL291965 0.81 S1PR1 (0.36) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL1000108 0.78
SCHEMBL15901294 0.77
SCHEMBL28456141 0.75 S1PR1 (0.35) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL12478345 0.73 HTR2A (0.30)
SCHEMBL3702313 0.73
SCHEMBL1463931 0.72
SCHEMBL24168527 0.71 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297799-B2 Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof SANOFI-AVENTIS (FR) 2007-11-20 US claimed
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF SANOFI-AVENTIS (FR) 2007-03-08 US claimed
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-10-06 US claimed
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 US claimed
EP-0950053-B1 NEW DERIVATIVES OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI SYNTHELABO (FR) 2003-06-11 EP claimed
EP-0837848-B1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI SYNTHELABO (FR) 2002-09-11 EP claimed
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 US claimed
EP-0950049-B1 DIPHENYL ALKYL-TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2001-10-17 EP claimed
EP-0950048-B1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI SYNTHELABO (FR) 2001-06-27 EP claimed
US-6124318-A Diphenylalkyl-tetrahydropyridines, process for their preparation, and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2000-09-26 US claimed
US-6034090-A 1-Phenylalkyl-1,2,3,6-tetrahydropyridines for treating Alzheimer's disease SANOFI-SYNTHLABO (FR) 2000-03-07 US claimed
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 claimed
EP-0950049-A1 DIPHENYL ALKYL-TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 1999-10-20 EP claimed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 EP claimed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 WO claimed
WO-1998025904-A1 DIPHENYL ALKYL-TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-06-18 WO claimed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP claimed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO claimed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
US-4236009-A Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-11-25 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 (4 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-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B S1PR1 907/4885S1PR3 900/4885S1PR2 927/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B S1PR1 907/4885S1PR3 900/4885S1PR2 927/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 S1PR1 964/4885S1PR3 782/4885S1PR2 950/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 S1PR1 1151/4885S1PR3 941/4885S1PR2 1053/4885

“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.