SCHEMBL4589950

SCHEMBL4589950

CCCCc1ccc(C(=O)CN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
HTR7 P34969 2/20 0.44
SIGMAR1 Q99720 4/20 0.41
KMT2A Q03164 1/20 0.41
CYP2J2 P51589 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CCR2 P41597 1/20 0.39
DRD2 P14416 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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 SCHEMBL4589010 0.99 PPARG (0.49) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4589148 0.86 SIGMAR1 (0.48) PPARGPPARAHTR7SIGMAR1KMT2A
Oxalic Acid SCHEMBL7381576 0.86 PPARG (0.57) PPARGPPARAHTR7SIGMAR1S1PR5
SCHEMBL4588594 0.86 PPARG (0.55) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4589087 0.86 PPARG (0.50) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4589091 0.85 PPARG (0.47) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4588826 0.85 SIGMAR1 (0.47) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4587710 0.85 SIGMAR1 (0.52) PPARGPPARAHTR7SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL4588524 0.85 SIGMAR1 (0.47) PPARGPPARAHTR7SIGMAR1KMT2A
SCHEMBL4587606 0.85 PPARG (0.53) PPARGPPARAHTR7SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 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
EP-0950053-B1 NEW DERIVATIVES OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI SYNTHELABO (FR) 2003-06-11 EP claimed
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 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-7297799-B2 Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF SANOFI-AVENTIS (FR) 2007-03-08 US disclosed
US-7151107-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2006-12-19 US disclosed
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-10-06 US disclosed
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 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
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-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-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (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-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 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 (5 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 PPARG 3986/4885PPARA 3549/4885HTR7 434/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B PPARG 3986/4885PPARA 3549/4885HTR7 434/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 PPARG 3161/4885PPARA 2326/4885HTR7 328/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 PPARG 3634/4885PPARA 3022/4885HTR7 282/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 PPARG 3146/4885PPARA 2134/4885HTR7 2293/4885

“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.