SCHEMBL5082005

SCHEMBL5082005

CCCN(Cc1ccc([C@H](c2ccc(Cl)cc2)N2CC(=C(c3cc(F)cc(F)c3)S(C)(=O)=O)C2)cc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CCR5 P51681 4/20 0.33
BACE1 P56817 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
FFAR2 O15552 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5081612 1.00 KDM4C (0.34) KDM4CDRD2DRD3MCHR1HDAC8
SCHEMBL5082066 1.00 KDM4C (0.34) KDM4CDRD2DRD3MCHR1HDAC8
SCHEMBL5078324 0.89 SLC6A9 (0.37) OPRM1OPRD1CCR5SLC6A2SLC6A4
SCHEMBL5081524 0.89 SLC6A9 (0.37) OPRM1OPRD1CCR5SLC6A2SLC6A4
SCHEMBL5075809 0.89 SLC6A9 (0.37) OPRM1OPRD1CCR5SLC6A2SLC6A4
SCHEMBL5077625 0.89 OPRD1 (0.35) OPRM1OPRD1BACE1FFAR2CYP2D6
SCHEMBL5082043 0.89 OPRD1 (0.35) OPRM1OPRD1BACE1FFAR2CYP2D6
SCHEMBL5082045 0.89 OPRD1 (0.35) OPRM1OPRD1BACE1FFAR2CYP2D6
SCHEMBL5077631 0.85 OPRD1 (0.41) DRD2DRD3OPRM1OPRD1CCR5
SCHEMBL5077629 0.85 OPRD1 (0.41) DRD2DRD3OPRM1OPRD1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US claimed
US-20050107356-A1 Combination of a CB1 receptor antagonist and of a product which activates dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2005-05-19 US claimed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US claimed
EP-1423146-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN Aventis Pharma S.A. (FR) 2004-06-02 EP claimed
EP-1328269-B1 ASSOCIATION OF A CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN FOR TREATING OBESITY AVENTIS PHARMA SA (FR) 2004-05-26 EP claimed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US claimed
EP-1328269-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND A SIBUTRAMIN FOR TREATING OBESITY Aventis Pharma S.A. (FR) 2003-07-23 EP claimed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
WO-2003018060-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-06 WO claimed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US claimed
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity AVENTIS PHARMA S.A. (FR) 2002-07-11 US claimed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO claimed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed
US-20080058381-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF SIBUTRAMINE, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF OBESITY AVENTIS PHARMA S.A. (FR) 2008-03-06 US disclosed
US-7148258-B2 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 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 (7 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C KDM4C 3386/4885DRD2 16/4885DRD3 145/4885
US-20080058381-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF SIBUTRAMINE, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF OBESITY CNR2, CNR1, GPR119 KDM4C 1356/4885DRD2 136/4885DRD3 209/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A KDM4C 3384/4885DRD2 11/4885DRD3 91/4885
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity CNR2, CNR1, GPR119 KDM4C 1356/4885DRD2 136/4885DRD3 209/4885
US-20050107356-A1 Combination of a CB1 receptor antagonist and of a product which activates dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease CNR1, CNR2, GPR18 KDM4C 3838/4885DRD2 48/4885DRD3 226/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 KDM4C 944/4885DRD2 63/4885DRD3 154/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 KDM4C 4506/4885DRD2 60/4885DRD3 156/4885

“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.