SCHEMBL4587131

SCHEMBL4587131

CCc1ccc(CCN2CC=C(c3cccc(Cl)n3)CC2)cc1CC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.42
DRD2 P14416 10/20 0.42
HTR1A P08908 8/20 0.42
PARP1 P09874 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
KCNH2 Q12809 1/20 0.37
DRD3 P35462 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
Hydrochloric Acid SCHEMBL4588498 0.99 DRD4 (0.41) DRD4DRD2HTR1APARP1SIGMAR1
SCHEMBL6437677 0.81 SIGMAR1 (0.52) DRD4DRD2PARP1SIGMAR1DRD3
SCHEMBL3453460 0.80 HRH3 (0.40) DRD4DRD2HTR1APARP1SIGMAR1
SCHEMBL6589037 0.80 SIGMAR1 (0.44) DRD4DRD2HTR1APARP1SIGMAR1
SCHEMBL6543298 0.79 DRD4 (0.38) DRD4DRD2HTR1APARP1SIGMAR1
SCHEMBL1138726 0.78 SIGMAR1 (0.47) DRD4DRD2HTR1APARP1SIGMAR1
SCHEMBL4589884 0.76 DRD4 (0.40) DRD4DRD2HTR1ASIGMAR1KCNH2
SCHEMBL4588233 0.74 PPARG (0.53) DRD2HTR1APARP1PPARGPPARA
SCHEMBL4589196 0.74 DRD4 (0.57) DRD4DRD2HTR1ASIGMAR1DRD3
Hydrochloric Acid SCHEMBL4587862 0.73 PPARG (0.53) DRD2HTR1APARP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP 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-0950048-B1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI SYNTHELABO (FR) 2001-06-27 EP claimed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO claimed
US-6034090-A 1-Phenylalkyl-1,2,3,6-tetrahydropyridines for treating Alzheimer's disease SANOFI-SYNTHLABO (FR) 2000-03-07 US claimed
CN-1240427-A 1-phenylalkyl-1,2,3,6-tetrahydropyridines for treating alzheimer's disease SANOFI SA (FR) 2000-01-05 CN 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-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
CN-1129579-C 1-phenylalkyl-1, 2,3, 6-tetrahydropyridines for treating alzheimer's disease SANOFI SYNTHELABO (FR) 2003-12-03 CN 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-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-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
CN-1240427-A 1-phenylalkyl-1,2,3,6-tetrahydropyridines for treating alzheimer's disease SANOFI SA (FR) 2000-01-05 CN disclosed
EP-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 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-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 DRD4 2423/4885DRD2 2564/4885HTR1A 366/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 DRD4 2867/4885DRD2 2854/4885HTR1A 661/4885

“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.