SCHEMBL6543176

SCHEMBL6543176

CCCCc1ccc(CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
HTR7 P34969 2/20 0.46
PARP1 P09874 4/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
KCNA3 P22001 1/20 0.37
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 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
SCHEMBL4587597 0.97 PPARG (0.47) PPARGPPARAHTR7PARP1DRD2
SCHEMBL6543422 0.93 PPARG (0.48) PPARGPPARAHTR7PARP1DRD2
SCHEMBL6543482 0.92 PPARG (0.52) PPARGPPARAHTR7PARP1DRD2
SCHEMBL4587591 0.90 PPARG (0.47) PPARGPPARAHTR7PARP1DRD2
SCHEMBL4587606 0.89 PPARG (0.53) PPARGPPARAHTR7PARP1DRD2
SCHEMBL7820335 0.87 PPARG (0.51) PPARGPPARAHTR7PARP1DRD2
SCHEMBL6543177 0.87 PPARG (0.50) PPARGPPARAHTR7PARP1DRD2
SCHEMBL4588645 0.87 PPARG (0.51) PPARGPPARAHTR7PARP1DRD2
Hydrochloric Acid SCHEMBL8022987 0.86 PPARG (0.50) PPARGPPARAHTR7PARP1DRD2
SCHEMBL6543425 0.86 PPARG (0.52) PPARGPPARAHTR7PARP1DRD2

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 11 patents. 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 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-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-0950048-B1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI SYNTHELABO (FR) 2001-06-27 EP 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
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 (1 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 PPARG 2860/4885PPARA 1980/4885HTR7 2062/4885

“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.