SCHEMBL3295396

SCHEMBL3295396

O=S(=O)(Cc1cccc(N2CCCC2)c1)CC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CNR2 P34972 1/20 0.37
AGXT P21549 1/20 0.37
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNQ2 O43526 1/20 0.36
HPN P05981 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL3297281 0.98 SLC6A2 (0.38) CNR1SLC6A2SLC6A4CNR2AGXT
SCHEMBL7803339 0.87 CYP3A4 (0.35) CNR1SLC6A2SLC6A4CYP3A4USP2
SCHEMBL3299776 0.83 AGTR2 (0.37) CNR1SLC6A2SLC6A4CYP3A4USP2
SCHEMBL3297036 0.80 CYP3A4 (0.37) CNR1SLC6A2SLC6A4CYP3A4USP2
SCHEMBL3297656 0.74 SMN1; SMN2 (0.36) CNR1CNR2CYP3A4CYP2D6CYP2C19
SCHEMBL27468837 0.74 AGXT (0.57) AGXTUSP2KCNQ2DRD2PRMT6
SCHEMBL3296309 0.73 KMT2A (0.46) CNR2KCNH2MEN1KMT2ALMNA
SCHEMBL3294268 0.73 CYP3A4 (0.40) CNR1SLC6A2SLC6A4CNR2CYP3A4
SCHEMBL3294270 0.73 CYP3A4 (0.40) CNR1SLC6A2SLC6A4CNR2CYP3A4
SCHEMBL3296818 0.73 CYP3A4 (0.40) CNR1SLC6A2SLC6A4CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US claimed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP claimed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US claimed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US claimed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US claimed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP claimed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US claimed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US claimed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO claimed
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
EP-1649849-A2 Compositions for the treatment of Parkinson's disease containing a CB1 receptor antagonist and a product that activates the dopaminergic neurotransmission in the brain. Aventis Pharma S.A. (FR) 2006-04-26 EP disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
WO-2003020314-A1 COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT THAT ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-13 WO disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 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-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 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 CNR1 40/4885SLC6A2 2876/4885SLC6A4 2495/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CNR1 40/4885SLC6A2 2876/4885SLC6A4 2495/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CNR1 653/4885SLC6A2 99/4885SLC6A4 207/4885

“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.