SCHEMBL3131601

SCHEMBL3131601

N#Cc1ccc(CN2CC3CN(CCNS(=O)(=O)c4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CYP19A1 P11511 2/20 0.50
THRB P10828 1/20 0.48
LSS P48449 3/20 0.44
SIGMAR1 Q99720 6/20 0.41
HTR7 P34969 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL3124734 0.95 KCNH2 (0.57) KCNH2CYP19A1THRBLSS
SCHEMBL3129028 0.95 KCNH2 (0.57) KCNH2CYP19A1THRBLSS
SCHEMBL3128798 0.95 THRB (0.56) KCNH2CYP19A1THRBLSSHTR7
SCHEMBL3126734 0.93 KCNH2 (0.50) KCNH2CYP19A1THRBLSSHTR7
SCHEMBL3119466 0.90 KCNH2 (0.49) KCNH2CYP19A1THRBHTR7
SCHEMBL3132793 0.89 KCNH2 (0.52) KCNH2CYP19A1THRBLSSCNR1
SCHEMBL3130292 0.89 KCNH2 (0.55) KCNH2CYP19A1THRBHTR7
SCHEMBL3125156 0.88 KCNH2 (0.48) KCNH2CYP19A1THRBLSSCNR1
SCHEMBL3119501 0.88 HTR7 (0.57) KCNH2CYP19A1THRBLSSHTR7
SCHEMBL4498694 0.87 KCNH2 (0.52) KCNH2THRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO claimed
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (2 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885CYP19A1 2130/4885THRB 486/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885CYP19A1 2130/4885THRB 486/4885

“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.