SCHEMBL3299155

SCHEMBL3299155

O=S(=O)(C=C1CN([C@@H](c2ccc(Cl)cc2)c2ccc(CCl)cc2)C1)Cc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.34
SLC6A9 P48067 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
NR1I2 O75469 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
HRH1 P35367 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL3298446 1.00 GPX4 (0.34) GPX4SLC6A9CYP2D6CYP19A1ALDH1A1
SCHEMBL4029679 0.94 GPX4 (0.35) GPX4SLC6A9CYP2D6CYP19A1LMNA
SCHEMBL3297618 0.91 GPX4 (0.34) GPX4SLC6A9CYP2D6CYP19A1
SCHEMBL3295171 0.88 HSD17B10 (0.34) GPX4SLC6A9CYP2D6CYP19A1
SCHEMBL3304386 0.87 OPRM1 (0.31) GPX4CYP2D6LMNAADORA3CNR1
SCHEMBL7653080 0.87 FFAR2 (0.34) CYP2D6LMNANR1I2ADORA3CNR1
SCHEMBL7650011 0.87 FFAR2 (0.34) CYP2D6LMNANR1I2ADORA3CNR1
SCHEMBL7646797 0.86 CNR1 (0.39) CNR1
SCHEMBL6011721 0.85 ACHE (0.40) CYP2D6NPSR1LMNANR1I2ADORA3
SCHEMBL3298988 0.84

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 GPX4 889/4885SLC6A9 1600/4885CYP2D6 7/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 GPX4 889/4885SLC6A9 1600/4885CYP2D6 7/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 GPX4 515/4885SLC6A9 1499/4885CYP2D6 178/4885

“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.