SCHEMBL5082015

SCHEMBL5082015

CNCC(=O)N1CCN(c2cccc(C(=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)S(C)(=O)=O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ENPP2 Q13822 4/20 0.43
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
GPX4 P36969 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
TP53 P04637 1/20 0.39
CACNA2D1 P54289 3/20 0.39
CACNA1B Q00975 3/20 0.39
CACNB1 Q02641 3/20 0.39
CACNA1C Q13936 3/20 0.39
CACNA1G O43497 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PANK3 Q9H999 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5078902 0.92 KMT2A (0.49) KMT2AENPP2LMNATHRBCACNA2D1
SCHEMBL5075738 0.90 ENPP2 (0.44) KMT2AENPP2LMNAGPX4HTR1A
SCHEMBL6011472 0.89 PANK3 (0.45) ENPP2LMNAHTR1AHTR7CACNA2D1
SCHEMBL5078915 0.88 LMNA (0.45) ENPP2LMNAGPX4HTR1AHTR7
SCHEMBL5075675 0.88 ENPP2 (0.43) ENPP2LMNAHTR1AHTR7ALDH1A1
SCHEMBL5082046 0.88 CYP3A4 (0.45) KMT2AENPP2LMNAHTR1AHTR7
SCHEMBL6011689 0.88 KMT2A (0.44) KMT2AENPP2LMNATHRBALDH1A1
SCHEMBL6011375 0.87 SMN1; SMN2 (0.43) KMT2AENPP2GPX4HTR1AHTR7
SCHEMBL5078917 0.87 HTR2C (0.40) ENPP2LMNAHTR1AHTR7ALDH1A1
SCHEMBL6011553 0.86 MEN1 (0.44) KMT2AENPP2LMNAALDH1A1PANK3

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 39 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
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP claimed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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
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 KMT2A 3986/4885ENPP2 915/4885LMNA 3302/4885
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 KMT2A 1186/4885ENPP2 851/4885LMNA 3068/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A KMT2A 3889/4885ENPP2 562/4885LMNA 3203/4885
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 KMT2A 1186/4885ENPP2 851/4885LMNA 3068/4885
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 KMT2A 3354/4885ENPP2 262/4885LMNA 4219/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 KMT2A 2406/4885ENPP2 2289/4885LMNA 4140/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 KMT2A 4325/4885ENPP2 1498/4885LMNA 3266/4885

“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.