SCHEMBL3296451

SCHEMBL3296451

O=S(=O)(CC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
CYP3A5 P20815 4/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SLC6A9 P48067 2/20 0.38
CYP19A1 P11511 4/20 0.38
TP53 P04637 1/20 0.38
GPX4 P36969 1/20 0.37
CYP2D6 P10635 2/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL3296162 0.87 CYP3A4 (0.53) CYP3A4CYP3A5FNTAFNTBCYP19A1
SCHEMBL3296478 0.86 ALDH1A1 (0.47) CYP3A4CYP3A5SLC6A9CYP2D6ALDH1A1
SCHEMBL3296344 0.82 PSEN1 (0.38) CYP3A4CYP3A5SLC6A9CYP19A1GPX4
SCHEMBL3294357 0.80 PSEN1 (0.46) CYP3A4CYP3A5FNTAFNTBCYP2D6
SCHEMBL3295045 0.77 FNTA (0.38) CYP3A4CYP3A5FNTAFNTBSLC6A9
SCHEMBL7800441 0.77 FNTA (0.38) CYP3A4CYP3A5FNTAFNTBSLC6A9
SCHEMBL3361292 0.72 CYP3A4 (0.42) CYP3A4CYP3A5FNTAFNTBSLC6A9
SCHEMBL3361573 0.71 ALDH1A1 (0.43) CYP3A4CYP19A1CYP2D6ALDH1A1CYP1A2
SCHEMBL2905819 0.71 CYP3A4 (0.42) CYP3A4CYP3A5FNTAFNTBSLC6A9
SCHEMBL1121906 0.70 KMT2A (0.43) ALDH1A1CRBN

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 CYP3A4 38/4885CYP3A5 29/4885FNTA 4462/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CYP3A4 38/4885CYP3A5 29/4885FNTA 4462/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CYP3A4 526/4885CYP3A5 501/4885FNTA 3397/4885

“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.