SCHEMBL3360685

SCHEMBL3360685

O=S(=O)(C=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 2/20 0.46
CYP3A4 P08684 4/20 0.40
CYP3A5 P20815 3/20 0.40
NFE2L2 Q16236 1/20 0.39
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
BCL2 P10415 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3361292 0.78 CYP3A4 (0.42) KDM4ENPSR1PKMCYP3A4CYP3A5
SCHEMBL3362187 0.78 CYP3A4 (0.56) KDM4ECYP3A4CYP3A5NFE2L2FNTA
SCHEMBL3294357 0.73 PSEN1 (0.46) KDM4ENPSR1PKMCYP3A4CYP3A5
SCHEMBL2913321 0.73 PSEN1 (0.46) KDM4ENPSR1PKMCYP3A4CYP3A5
SCHEMBL3297981 0.72 CYP2D6 (0.37) CYP3A4CYP3A5CHRM2HTR1AADRA2A
SCHEMBL3294293 0.68 DRD3 (0.39) KDM4ENPSR1CYP3A4CYP3A5CHRM2
SCHEMBL3357725 0.66 ALDH1A1 (0.40) CYP3A4CYP3A5SLC6A2SLC6A4HRH3
SCHEMBL7652781 0.65 CYP3A4 (0.38) CYP3A4CHRM2ADRA2ACHRM1DRD1
SCHEMBL1500553 0.65 CYP2D6 (0.53) KDM4ECYP3A4CHRM2HTR1AADRA2A
SCHEMBL4029679 0.64 GPX4 (0.35) CYP3A4CYP3A5CHRM2HTR1AADRA2A

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 KDM4E 1190/4885NPSR1 1896/4885PKM 3552/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 KDM4E 1190/4885NPSR1 1896/4885PKM 3552/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 KDM4E 2841/4885NPSR1 270/4885PKM 3933/4885

“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.