SCHEMBL2966847

SCHEMBL2966847

N#Cc1ccc(NCCCN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CCR3 P51677 5/20 0.42
PKM P14618 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2A P28223 3/20 0.36
EGLN2 Q96KS0 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL2967583 0.89 KCNH2 (0.45) KCNH2CCR3PKMCD274MEN1
SCHEMBL2967483 0.89 KCNH2 (0.48) KCNH2CCR3PKMMEN1KMT2A
SCHEMBL3126044 0.85 KCNH2 (0.45) KCNH2CCR3CD274DRD2
SCHEMBL4137801 0.85 KCNH2 (0.59) KCNH2MEN1
SCHEMBL2966214 0.85 KCNH2 (0.44) KCNH2CCR3PKMMEN1KMT2A
SCHEMBL2967590 0.85 KCNH2 (0.44) KCNH2CCR3CD274DRD2DRD3
SCHEMBL6005645 0.83 KCNH2 (0.46) KCNH2CCR3PKMCD274MEN1
SCHEMBL2962910 0.83 KCNH2 (0.41) KCNH2CCR3MEN1KMT2ADRD2
SCHEMBL1619458 0.83 FAAH (0.46) KCNH2PKMCD274MEN1KMT2A
SCHEMBL4125747 0.83 KCNH2 (0.48) KCNH2PKMCD274DRD2DRD3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389212-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-07-12 EP claimed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed
US-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates ASTRAZENECA AB (SE) 2005-01-20 US claimed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP claimed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO claimed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
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
CN-1279916-C 3,7-diazybicyclo [3.3.1] for mulations as antiarrhytmic compounds ASTRAZENECA AB (SE) 2006-10-18 CN disclosed
CN-1269823-C 3, 7-diazabicyclo [3.3.1] formulations as antiarrhythmic compounds ASTRAZENECA AB (SE) 2006-08-16 CN disclosed
CN-1514837-A 3,7-diazabicyclo [3.3.1] for mulations as anti arhythmiccompounds 2004-07-21 CN disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US 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
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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 (4 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 KCNH2 9/4885CCR3 3660/4885PKM 4074/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885CCR3 2910/4885PKM 4013/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885CCR3 3810/4885PKM 3491/4885
US-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates AOX1, DHODH, DHRS9 KCNH2 1162/4885CCR3 985/4885PKM 2156/4885

“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.