SCHEMBL3129028

SCHEMBL3129028

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
CYP19A1 P11511 3/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
POLB P06746 1/20 0.41
LSS P48449 2/20 0.41
PRKAA2 P54646 3/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 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 1.00 KCNH2 (0.57) KCNH2CYP19A1THRBALDH1A1DRD2
SCHEMBL3131601 0.95 KCNH2 (0.52) KCNH2CYP19A1THRBLSS
SCHEMBL3130292 0.94 KCNH2 (0.55) KCNH2CYP19A1THRBALDH1A1DRD2
SCHEMBL3131046 0.92 KCNH2 (0.57) KCNH2CYP19A1ALDH1A1POLBLSS
SCHEMBL3122664 0.92 KCNH2 (0.57) KCNH2CYP19A1ALDH1A1POLBLSS
SCHEMBL3118764 0.92 ALDH1A1 (0.47) KCNH2ALDH1A1POLBMEN1PKM
SCHEMBL3128798 0.90 THRB (0.56) KCNH2CYP19A1THRBALDH1A1DRD2
SCHEMBL3126734 0.89 KCNH2 (0.50) KCNH2CYP19A1THRBLSSKMT2A
SCHEMBL3130417 0.88 KCNH2 (0.59) KCNH2CYP19A1ALDH1A1DRD2DRD3
SCHEMBL3132793 0.87 KCNH2 (0.52) KCNH2CYP19A1THRBPOLBLSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.