SCHEMBL3128796

SCHEMBL3128796

CC(C)(C)OC(=O)NCCCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MGLL Q99685 2/20 0.43
BRD4 O60885 1/20 0.42
DRD2 P14416 2/20 0.42
KCNA5 P22460 2/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL3129914 0.97 KCNH2 (0.54) KCNH2CA12CA1CA2CA9
SCHEMBL2954489 0.94 KCNH2 (0.51) KCNH2CA12CA1CA2CA9
SCHEMBL2964384 0.93 KCNH2 (0.56) KCNH2CA12CA1CA2CA9
SCHEMBL1618250 0.88 DRD2 (0.45) KCNH2DRD2CCNCCDK8
SCHEMBL4261259 0.87 KCNH2 (0.47) KCNH2CA12CA1CA2CA9
SCHEMBL5969996 0.87 KCNH2 (0.46) KCNH2CA12CA1CA2CA9
SCHEMBL1619409 0.86 KCNH2 (0.54) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL3126044 0.85 KCNH2 (0.45) KCNH2HRH3DRD2CCNCCDK8
SCHEMBL2958869 0.84 RORC (0.41) KCNH2CA12CA1CA2CA9
SCHEMBL4139633 0.83 KCNH2 (0.53) KCNH2HRH2HRH1HRH3KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US 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

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 8/4885CA12 4476/4885CA1 2914/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885CA12 4476/4885CA1 2914/4885

“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.