SCHEMBL3357725

SCHEMBL3357725

O=S(=O)(C=C1CN(C(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP3A5 P20815 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
CYP19A1 P11511 1/20 0.36
TP53 P04637 1/20 0.36
BACE1 P56817 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL3361573 0.75 ALDH1A1 (0.43) ALDH1A1GLAHRH3CYP3A4CYP1A2
SCHEMBL3349152 0.73 CYP19A1 (0.43) HRH3CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL3361292 0.71 CYP3A4 (0.42) ALDH1A1HRH3CYP3A4CYP2D6SLC6A2
SCHEMBL3362187 0.71 CYP3A4 (0.56) ALDH1A1CYP3A4CYP3A5CYP19A1
SCHEMBL3297981 0.68 CYP2D6 (0.37) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL5146505 0.67 MAPT (0.56) ALDH1A1GLACYP3A4CYP1A2CYP2D6
SCHEMBL27687834 0.66 SLC6A4 (0.80) CYP3A4CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL27363846 0.66 SLC6A4 (0.80) CYP3A4CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL3360685 0.66 KDM4E (0.46) ALDH1A1HRH3CYP3A4CYP2D6TSHR
SCHEMBL27795312 0.64 CYP2D6 (0.54) HRH3CYP3A4CYP1A2CYP2D6TSHR

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 ALDH1A1 193/4885GLA 2785/4885HRH3 471/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 ALDH1A1 193/4885GLA 2785/4885HRH3 471/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 ALDH1A1 629/4885GLA 189/4885HRH3 77/4885

“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.