SCHEMBL3294357

SCHEMBL3294357

O=S(=O)(CC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP3A5 P20815 3/20 0.39
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
KCNH2 Q12809 4/20 0.38

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
SCHEMBL3296478 0.82 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3296451 0.80 CYP3A4 (0.41) FNTAFNTBCYP3A4CYP3A5CYP2D6
SCHEMBL2913321 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3296162 0.78 CYP3A4 (0.53) KDM4EPOLBFNTAFNTBCYP3A4
SCHEMBL3296344 0.73 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3360685 0.73 KDM4E (0.46) KDM4ENPSR1PKMFNTAFNTB
SCHEMBL27965452 0.70 SLC6A9 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HRH2
SCHEMBL27965168 0.68 UTS2R (0.42) L3MBTL1ALDH1A1CACNA1GCACNA2D1CACNA1B
SCHEMBL27965453 0.68 SLC6A9 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HRH2
SCHEMBL3361573 0.68 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 2093/4885PSEN2 1145/4885APH1B 2283/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 PSEN1 2093/4885PSEN2 1145/4885APH1B 2283/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 PSEN1 41/4885PSEN2 14/4885APH1B 322/4885

“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.