SCHEMBL977897

SCHEMBL977897

CS(=O)(=O)OC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP3A5 P20815 2/20 0.42
SLC6A9 P48067 4/20 0.42
CYP2D6 P10635 3/20 0.41
CYP19A1 P11511 1/20 0.41
CHRM2 P08172 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
TBXA2R P21731 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
BCL2 P10415 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL70441 0.84 CYP2D6 (0.46) CYP3A4SLC6A9CYP2D6CHRM2ADRA2A
SCHEMBL24238344 0.80 OPRM1 (0.42) CYP3A4SLC6A9CYP2D6CHRM2ADRA2A
SCHEMBL24238281 0.80 OPRM1 (0.42) CYP3A4SLC6A9CYP2D6CHRM2ADRA2A
SCHEMBL24238345 0.80 CYP2D6 (0.40) CYP3A4SLC6A9CYP2D6CHRM2HTR1A
SCHEMBL5514265 0.78 CYP2D6 (0.41) CYP3A4SLC6A9CYP2D6CHRM2ADRA2A
SCHEMBL3803282 0.77 MCOLN3 (0.37) CYP2D6CHRM2CHRM1ALDH1A1
Fumaric Acid SCHEMBL6971299 0.76 ALDH1A1 (0.49) CYP3A4SLC6A9CYP2D6TSHRALDH1A1
Maleic Acid SCHEMBL6971291 0.76 ALDH1A1 (0.49) CYP3A4SLC6A9CYP2D6TSHRALDH1A1
SCHEMBL7653982 0.76 SLC6A9 (0.42) CYP3A4CYP3A5SLC6A9CYP2D6CYP19A1
SCHEMBL2264060 0.74 CYP2D6 (0.45) CYP3A4SLC6A9CYP2D6CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US disclosed
US-8071788-B2 Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
US-7652154-B2 Method and intermediates for the preparation of derivatives of N (1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2008-12-18 US disclosed
US-7217705-B2 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) 2007-05-15 US disclosed
US-7132414-B2 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2006-11-07 US disclosed
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives 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) 2004-10-21 US disclosed
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2004-08-12 US disclosed
US-6734176-B2 ARE CB1-RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT AND PREVENTION OF DISORDERS AFFECTING THE CENTRAL NERVOUS, IMMUNE, CARDIOVASCULAR OR ENDOCRINE, RESPIRATORY, GASTROINTESTINAL AND REPRODUCTIVE SYSTEMS; DRUG ABUSE AVENTIS PHARMA S.A. (FR) 2004-05-11 US disclosed
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2003-06-26 US disclosed
US-6566356-B2 3-amido or 3-sulfonylamino azetidine compounds and their preparation; high affinity for cannabinoid receptor CB1 type, useful in treating central nervous system, immune, gastrointestinal or cardiovascular disorders, drug abuse AVENTIS PHARMA S.A. (FR) 2003-05-20 US disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2002-02-14 US 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 (10 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-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 CYP3A4 16/4885CYP3A5 14/4885SLC6A9 1475/4885
US-20040157823-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 CYP3A4 31/4885CYP3A5 29/4885SLC6A9 1511/4885
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CYP3A4 498/4885CYP3A5 277/4885SLC6A9 2158/4885
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 CYP3A4 31/4885CYP3A5 29/4885SLC6A9 1511/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CYP3A4 498/4885CYP3A5 277/4885SLC6A9 2158/4885
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH CYP3A4 588/4885CYP3A5 406/4885SLC6A9 2136/4885
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S CYP3A4 846/4885CYP3A5 517/4885SLC6A9 100/4885
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease CNR1, CNR2, GPR18 CYP3A4 2401/4885CYP3A5 2498/4885SLC6A9 3027/4885
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH CYP3A4 588/4885CYP3A5 406/4885SLC6A9 2136/4885
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES QDPR, AZI2, NISCH CYP3A4 325/4885CYP3A5 255/4885SLC6A9 1201/4885

“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.