SCHEMBL1500596

SCHEMBL1500596

OC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
CYP19A1 P11511 2/20 0.52
SLC6A9 P48067 4/20 0.47
GPX4 P36969 3/20 0.46
CHRM2 P08172 2/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
TBXA2R P21731 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
BCL2 P10415 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 SCHEMBL1782142 0.98 CYP2D6 (0.50) CYP2D6CYP19A1SLC6A9GPX4CHRM2
Bromide SCHEMBL1782497 0.98 CYP2D6 (0.50) CYP2D6CYP19A1SLC6A9GPX4CHRM2
SCHEMBL1779185 0.93 CYP2D6 (0.46) CYP2D6CYP19A1SLC6A9GPX4CHRM2
SCHEMBL3298070 0.84 MAPK1 (0.40) CYP2D6CYP19A1SLC6A9GPX4CHRM2
SCHEMBL3301126 0.82 OPRD1 (0.51) CYP2D6SLC6A9GPX4CYP2C19OPRM1
SCHEMBL3301129 0.82 OPRD1 (0.51) CYP2D6SLC6A9GPX4CYP2C19OPRM1
SCHEMBL3298937 0.81 OPRM1 (0.44) CYP2D6CYP19A1SLC6A9CHRM2HTR1A
SCHEMBL1500612 0.80 MGLL (0.43) CYP2D6CYP19A1GPX4CHRM2HTR1A
SCHEMBL1500614 0.80 MGLL (0.43) CYP2D6CYP19A1GPX4CHRM2HTR1A
SCHEMBL7275198 0.80 ACHE (0.46) CYP2D6CYP19A1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229355-B1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI SA (FR) 2012-09-19 EP claimed
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US claimed
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-05-19 US claimed
EP-2229355-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES Sanofi-Aventis (FR) 2010-09-22 EP claimed
WO-2009103883-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-27 WO claimed
EP-1805167-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES Aventis Pharma S.A. (FR) 2007-07-11 EP claimed
WO-2006040465-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2006-04-20 WO claimed
US-8334282-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-12-18 US disclosed
US-8334282-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-12-18 US disclosed
US-8334282-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-12-18 US disclosed
EP-2229355-B1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI SA (FR) 2012-09-19 EP disclosed
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US disclosed
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 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
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064633-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP2D6 7/4885CYP19A1 617/4885SLC6A9 1600/4885
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 CYP2D6 4/4885CYP19A1 720/4885SLC6A9 1475/4885
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES QDPR, AZI2, NISCH CYP2D6 183/4885CYP19A1 740/4885SLC6A9 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.