SCHEMBL3299779

SCHEMBL3299779

CS(=O)(=O)C(c1cccc(CO)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 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPN P05981 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 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
SCHEMBL3296408 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3296410 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3297031 0.81 CYP3A4 (0.39) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL7803340 0.80 CYP3A4 (0.38) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3294270 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3297273 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3297277 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3299151 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3294268 0.80 CYP3A4 (0.40) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL3296818 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 9 patents. 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 disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 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
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 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-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CYP3A4 526/4885CHRM2 1/4885ADRA2A 30/4885

“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.