SCHEMBL5075713

SCHEMBL5075713

CS(=O)(=O)C(=C1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 3/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.37
OPRD1 P41143 6/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL5082007 0.88 MAOB (0.45) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5075554 0.86 OPRM1 (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL6011691 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL7121634 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5078271 0.85 CACNA2D1 (0.42) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5075746 0.85 USP2 (0.48) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL6011664 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL6011673 0.85 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5077606 0.85 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5078307 0.84 OPRD1 (0.46) KMT2AMEN1ALDH1A1KDM4ETDP1

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 40 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
CN-1473040-A Association and medicinal composition of CB1 receptor antagonist and sibutramin for treating obesity ���ĵ�˹ҩ��ɷ����޹�˾ 2004-02-04 CN 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
CN-100409845-C Combination form of CB1 receptor antagonist and sibutramine, pharmaceutical composition thereof and application of pharmaceutical composition in preparation of drugs for treating obesity AVENTIS PHARMA SA (FR) 2008-08-13 CN 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 (6 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 3986/4885MEN1 602/4885ALDH1A1 186/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A KMT2A 3889/4885MEN1 893/4885ALDH1A1 303/4885
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 1186/4885MEN1 3096/4885ALDH1A1 3651/4885
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 3354/4885MEN1 3124/4885ALDH1A1 3094/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 KMT2A 2406/4885MEN1 1024/4885ALDH1A1 639/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 KMT2A 4325/4885MEN1 934/4885ALDH1A1 32/4885

“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.