SCHEMBL3299151

SCHEMBL3299151

CS(=O)(=O)[C@H](c1cccc(N2CCC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
CHRM2 P08172 3/20 0.40
ADRA2A P08913 3/20 0.40
CHRM1 P11229 3/20 0.40
DRD1 P21728 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
ADRA1A P35348 3/20 0.40
DRD3 P35462 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 3/20 0.40
OPRM1 P35372 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR1A P08908 2/20 0.40
TBXA2R P21731 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A5 P20815 2/20 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
SCHEMBL3297273 1.00 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3297277 1.00 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3294268 0.98 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3296818 0.98 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3294270 0.98 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL7803340 0.86 CYP3A4 (0.38) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3296410 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3296408 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3297031 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3299779 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1

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 24 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
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
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
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-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-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US 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

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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP3A4 38/4885CHRM2 107/4885ADRA2A 41/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP3A4 38/4885CHRM2 107/4885ADRA2A 41/4885
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 2401/4885CHRM2 95/4885ADRA2A 18/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CYP3A4 526/4885CHRM2 1/4885ADRA2A 30/4885
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 CYP3A4 2489/4885CHRM2 106/4885ADRA2A 25/4885
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia CNR1, CNR2, GPR139 CYP3A4 3859/4885CHRM2 151/4885ADRA2A 149/4885

“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.