SCHEMBL3296307

SCHEMBL3296307

COc1ccc(C(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CNR2 P34972 3/20 0.39
GPX4 P36969 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CACNA1G O43497 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
LMNA P02545 3/20 0.37
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A9 P48067 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8263917 0.80 CYP3A4 (0.37) CYP19A1GPX4PSEN1PSEN2APH1B
SCHEMBL3297706 0.77 LMNA (0.36) CYP19A1CNR2CYP3A4CYP3A5LMNA
SCHEMBL3299434 0.77 LMNA (0.36) CYP19A1CNR2CYP3A4CYP3A5LMNA
SCHEMBL3296295 0.77 LMNA (0.36) CYP19A1CNR2CYP3A4CYP3A5LMNA
SCHEMBL2913392 0.76 CRHBP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3296408 0.75 CYP3A4 (0.39) GPX4CYP3A4CYP3A5LMNAKCNH2
SCHEMBL3297031 0.75 CYP3A4 (0.39) GPX4CYP3A4CYP3A5LMNAKCNH2
SCHEMBL3296410 0.75 CYP3A4 (0.39) GPX4CYP3A4CYP3A5LMNAKCNH2
SCHEMBL3299779 0.75 CYP3A4 (0.40) CACNA1GCYP3A4CYP3A5LMNAKCNH2
SCHEMBL4027420 0.75 CYP3A4 (0.40) CYP19A1CYP3A4CYP3A5KCNH2SLC6A9

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 CYP19A1 617/4885CNR2 59/4885GPX4 889/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP19A1 617/4885CNR2 59/4885GPX4 889/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CYP19A1 1059/4885CNR2 554/4885GPX4 515/4885

“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.