SCHEMBL5097553

SCHEMBL5097553

CC(C)(C)C(=O)CN1CC2CN(C[C@@H](N)COc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KDM1A O60341 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2969483 1.00 KCNH2 (0.50) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL6095815 0.92 GRIN1 (0.44) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL6095817 0.92 GRIN1 (0.44) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL2960609 0.89 KCNH2 (0.62) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6995039 0.89 GRIN1 (0.42) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL2970093 0.85 KCNH2 (0.49) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL2970091 0.85 KCNH2 (0.49) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL5091981 0.85 KCNH2 (0.49) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL2967821 0.83 KCNH2 (0.48) KCNH2MEN1KDM4EALDH1A1HRH3
SCHEMBL2964375 0.82 KCNH2 (0.54) KCNH2MEN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US claimed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 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-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885GRIN1 1057/4885GRIN2B 456/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885GRIN1 1006/4885GRIN2B 480/4885

“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.