SCHEMBL3605800

SCHEMBL3605800

N#Cc1ccc(OCC(O)CN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.72
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 2/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL1619314 1.00 KCNH2 (0.72) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4128937 0.94 KCNH2 (0.67) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4134400 0.94 KCNH2 (0.67) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4134172 0.93 KCNH2 (0.66) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1619266 0.89 KCNH2 (0.58) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7031260 0.89 KCNH2 (0.58) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5374500 0.89 KCNH2 (0.70) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4130161 0.88 KCNH2 (0.56) KCNH2KDM4EMAPK1POLBL3MBTL1
SCHEMBL4142281 0.88 KCNH2 (0.56) KCNH2KDM4EKMT2AMAPK1POLB
SCHEMBL4128190 0.88 KCNH2 (0.59) KCNH2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915380-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2006137770-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES ASTRAZENECA AB (SE) 2006-12-28 WO claimed
US-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ASTRAZENECA AB (SE) 2010-09-02 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
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
CN-1514838-A 3, 7-diazabicyclo [3.3.1] formulations as antiarrhythmic compounds 2004-07-21 CN disclosed
CN-1514839-A 3, 7-diazabicyclo [3.3.1] formulations as antiarrhythmic compounds 2004-07-21 CN 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-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ADH1C, ADH5, ADH1A KCNH2 437/4885KDM4E 3937/4885ALDH1A1 114/4885

“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.