SCHEMBL4589371

SCHEMBL4589371

Fc1ccc(-c2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HTR7 P34969 2/20 0.46
SIGMAR1 Q99720 8/20 0.45
S1PR5 Q9H228 1/20 0.41
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL4589001 0.91 SIGMAR1 (0.47) MAOBPPARGPPARAHTR7SIGMAR1
SCHEMBL4589848 0.91 SIGMAR1 (0.55) MAOBPPARGPPARAHTR7SIGMAR1
SCHEMBL4587500 0.91 HTR7 (0.52) MAOBPPARGPPARAHTR7SIGMAR1
Hydrochloric Acid SCHEMBL7393191 0.90 MAOB (0.53) MAOBPPARGPPARAHTR7SIGMAR1
SCHEMBL4588494 0.89 SIGMAR1 (0.47) MAOBPPARGPPARAHTR7SIGMAR1
SCHEMBL4587555 0.88 HTR7 (0.54) MAOBPPARGPPARAHTR7SIGMAR1
Paliroden SCHEMBL4587135 0.88 HTR7 (0.53) MAOBPPARGPPARAHTR7SIGMAR1
Paliroden SCHEMBL29375649 0.88 HTR7 (0.53) MAOBPPARGPPARAHTR7SIGMAR1
Hydrochloric Acid SCHEMBL7385918 0.87 HTR7 (0.53) MAOBPPARGPPARAHTR7SIGMAR1
SCHEMBL7392634 0.86 SIGMAR1 (0.50) MAOBPPARGPPARAHTR7SIGMAR1

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 17 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
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
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
US-6693118-B2 E.G., 1-(2-(6,7-METHYLENEDIOXYNAPHTH-2-YL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE AND 1-2-(4-CYCLOHEXENYLPHENYL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6 -TETRAHYDROPYRIDINE; apoptosis inhibition; treatment of graft rejection or of acute or chronic rheumatoid arthritis SANOFI-SYNTHELABO (FR) 2004-02-17 US 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-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2002-07-11 US disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 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
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

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-20030092737-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type ACHE, BCHE, PSEN1 MAOB 154/4885PPARG 1612/4885PPARA 1966/4885
US-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 MAOB 2046/4885PPARG 2860/4885PPARA 1980/4885
US-20050148614-A1 Combination of active ingredients for the treatment of senile dementia of the Alzheimer type ACHE, PSEN1, PSEN2 MAOB 119/4885PPARG 1752/4885PPARA 1956/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 MAOB 2099/4885PPARG 3146/4885PPARA 2134/4885

“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.