SCHEMBL3299158

SCHEMBL3299158

OC(c1ccc(Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP19A1 P11511 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
HPGD P15428 1/20 0.38
S1PR3 Q99500 1/20 0.38
KCNH2 Q12809 1/20 0.38
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL751365 0.86 SMN1; SMN2 (0.53) KCNQ3KCNQ2CYP3A4CYP2D6SLC6A2
SCHEMBL10197954 0.85 SMN1; SMN2 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10628639 0.85 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1CYP3A4
SCHEMBL1426754 0.80 TSHR (0.50) CYP19A1HPGDTSHRMAPK1HIF1A
SCHEMBL12373162 0.79 AOC3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP3A4
SCHEMBL11538507 0.79 CYP19A1 (0.55) KCNQ3KCNQ2KCNE1KCNQ1CYP3A4
SCHEMBL10628834 0.79 CHEK2 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23474122 0.79 CYP3A4 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18228537 0.78 SMN1; SMN2 (0.62) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18431137 0.78 S1PR3 (0.37) CYP19A1HPGDS1PR3SMN1; SMN2HRH3

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 15 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
CN-1185213-C Azetidine derivatives, preparation thereof and pharmaceutical compositions AVENTIS PHARMA SA (FR) 2005-01-19 CN disclosed
CN-1423633-A Azetidine derivatives, process for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2003-06-11 CN 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
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 EP 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 KCNQ3 464/4885KCNQ2 530/4885KCNE1 724/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 KCNQ3 464/4885KCNQ2 530/4885KCNE1 724/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 KCNQ3 385/4885KCNQ2 442/4885KCNE1 1086/4885

“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.