SCHEMBL4139628

SCHEMBL4139628

CN(CCCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH2 P25021 8/20 0.46
HRH1 P35367 8/20 0.46
HRH3 Q9Y5N1 8/20 0.46
KDM4E B2RXH2 4/20 0.45
KCNA5 P22460 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4140843 0.97 KCNH2 (0.51) KCNH2HRH2HRH1HRH3KDM4E
SCHEMBL1619406 0.94 KCNH2 (0.47) KCNH2HRH2HRH1HRH3KDM4E
SCHEMBL4134252 0.93 KCNH2 (0.53) KCNH2HRH2HRH1HRH3KDM4E
SCHEMBL1618052 0.87 KCNH2 (0.48) KCNH2HRH2HRH1HRH3KDM4E
SCHEMBL4134165 0.87 KCNH2 (0.63) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4142335 0.87 KCNH2 (0.63) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1619476 0.84 KCNH2 (0.49) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619268 0.84 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL2966798 0.82 KCNH2 (0.53) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL5317011 0.82 KCNH2 (0.47) KCNH2HRH2HRH1HRH3MEN1

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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 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 (1 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885HRH2 521/4885HRH1 484/4885

“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.