SCHEMBL3299776

SCHEMBL3299776

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.37
CYP3A4 P08684 2/20 0.36
CNR1 P21554 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
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
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 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
SCHEMBL3297036 0.84 CYP3A4 (0.37) AGTR2CYP3A4CNR1USP2CYP1A2
SCHEMBL7803339 0.84 CYP3A4 (0.35) AGTR2CYP3A4CNR1USP2CYP1A2
SCHEMBL3297281 0.83 SLC6A2 (0.38) CYP3A4CNR1USP2CYP1A2CYP2D6
SCHEMBL3295396 0.83 CNR1 (0.39) CYP3A4CNR1USP2CYP1A2CYP2D6
SCHEMBL3297656 0.78 SMN1; SMN2 (0.36) CYP3A4CNR1CYP2D6CYP2C19ADORA3
SCHEMBL3302770 0.78 CACNA2D1 (0.35) AGTR2CYP3A4CNR1USP2CYP1A2
SCHEMBL7652781 0.77 CYP3A4 (0.38) CYP3A4CNR1USP2CYP1A2CYP2D6
SCHEMBL3296309 0.76 KMT2A (0.46) KCNH2SLC6A9MEN1KMT2ALMNA
SCHEMBL3295045 0.75 FNTA (0.38) CYP3A4CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL7800441 0.75 FNTA (0.38) CYP3A4CNR1CYP1A2CYP2D6CYP2C19

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 6 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
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
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 (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 AGTR2 65/4885CYP3A4 38/4885CNR1 40/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 AGTR2 65/4885CYP3A4 38/4885CNR1 40/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 AGTR2 879/4885CYP3A4 526/4885CNR1 653/4885

“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.