SCHEMBL4133154

SCHEMBL4133154

N#Cc1ccc(OCCN2CC3CN(CCNC(=O)O)CC(C2)O3)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.36
HPGD P15428 1/20 0.36
KCNA5 P22460 3/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
CD274 Q9NZQ7 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
CHRM4 P08173 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL4133311 0.95 KCNH2 (0.48) KCNH2KDM4EALDH1A1HPGDDRD2
SCHEMBL4127866 0.92 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDDRD2
SCHEMBL1619391 0.89 KCNH2 (0.48) KCNH2KDM4EALDH1A1KCNA5CD274
SCHEMBL2958869 0.87 RORC (0.41) KCNH2KDM4EALDH1A1DRD2
SCHEMBL4418109 0.87 KDM4E (0.41) KCNH2KDM4EALDH1A1PTGDR2HPGD
SCHEMBL4134395 0.86 KCNH2 (0.49) KCNH2KDM4EALDH1A1DRD2DRD3
SCHEMBL4134193 0.86 KCNH2 (0.53) KCNH2KDM4EALDH1A1KCNA5CD274
SCHEMBL4133463 0.85 KCNH2 (0.54) KCNH2KDM4EALDH1A1DRD2DRD3
SCHEMBL4133190 0.83 KCNH2 (0.46) KCNH2KDM4EALDH1A1DRD2DRD3
SCHEMBL4130153 0.83 KCNH2 (0.51) KCNH2KDM4EALDH1A1DRD2DRD3

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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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 (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 6/4885KDM4E 3729/4885ALDH1A1 1142/4885

“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.