SCHEMBL3295161

SCHEMBL3295161

CS(=O)(=O)[C@H](c1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ACHE P22303 5/20 0.35
MGLL Q99685 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN9A Q15858 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3297675 1.00 POLB (0.35) POLBACHEMGLLOPRM1OPRD1
SCHEMBL3294287 1.00 POLB (0.35) POLBACHEMGLLOPRM1OPRD1
SCHEMBL8263917 0.91 CYP3A4 (0.37) OPRM1
SCHEMBL3298640 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1SCN9A
SCHEMBL3296937 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1SCN9A
SCHEMBL3298343 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1SCN9A
SCHEMBL4027420 0.85 CYP3A4 (0.40)
SCHEMBL3296784 0.83 CYP3A4 (0.41) POLB
SCHEMBL4028768 0.82 CYP3A4 (0.41) POLB
SCHEMBL3300931 0.81 LSS (0.38)

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 31 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-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia AVENTIS PHARMACEUTICALS INC. (US) 2008-09-11 US claimed
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 EP claimed
WO-2007067617-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 WO 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
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US 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
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia AVENTIS PHARMACEUTICALS INC. (US) 2008-09-11 US disclosed
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 EP disclosed
US-20070197654-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) 2007-08-23 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 (5 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 POLB 3586/4885ACHE 1576/4885MGLL 3700/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 POLB 3586/4885ACHE 1576/4885MGLL 3700/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 POLB 4205/4885ACHE 2/4885MGLL 3268/4885
US-20070197654-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 POLB 4463/4885ACHE 187/4885MGLL 801/4885
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia CNR1, CNR2, GPR139 POLB 4115/4885ACHE 320/4885MGLL 511/4885

“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.