SCHEMBL3294337

SCHEMBL3294337

O=S(=O)(C=C1CN(C(c2cccc(F)c2)c2cccc(F)c2)C1)Cc1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
GBA1 P04062 2/20 0.35
CNR2 P34972 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4029679 0.83 GPX4 (0.35) OPRM1OPRK1USP2CYP3A4CYP1A2
SCHEMBL7128894 0.81 CACNA1A (0.36) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL3294245 0.80 ALDH1A1 (0.34) USP2TSHRMEN1KMT2AALDH1A1
SCHEMBL6671789 0.79 MEN1 (0.43) MEN1KMT2A
SCHEMBL3298446 0.78 GPX4 (0.34) OPRK1CYP2D6ALDH1A1
SCHEMBL3297618 0.78 GPX4 (0.34) CYP2D6MEN1KMT2A
SCHEMBL3299155 0.78 GPX4 (0.34) OPRK1CYP2D6ALDH1A1
SCHEMBL3295171 0.78 HSD17B10 (0.34) CYP2D6
SCHEMBL6645535 0.77 OPRD1 (0.42) OPRD1CYP3A4TSHRMEN1KMT2A
SCHEMBL7646797 0.76 CNR1 (0.39) CNR2

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 OPRM1 177/4885OPRD1 69/4885OPRK1 450/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 OPRM1 177/4885OPRD1 69/4885OPRK1 450/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 OPRM1 350/4885OPRD1 122/4885OPRK1 435/4885

“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.