SCHEMBL4134295

SCHEMBL4134295

CS(=O)(=O)Nc1ccc(OCCN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 2/20 0.40
ADRB1 P08588 1/20 0.40
HTT P42858 2/20 0.39
CACNA1F O60840 1/20 0.39
CHRM2 P08172 1/20 0.39
ACHE P22303 1/20 0.39
AGTR1 P30556 1/20 0.39
DRD3 P35462 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
SCHEMBL2964595 0.87 LTA4H (0.49) LTA4HNPC1RAB9AGRIN1GRIN2B
SCHEMBL6150612 0.84 KDM4E (0.43) LTA4HKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4134193 0.82 KCNH2 (0.53) KDM4EALDH1A1MEN1KCNH2KCNA5
SCHEMBL4145069 0.80 KDM4E (0.64) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL4137801 0.77 KCNH2 (0.59) MEN1KCNH2
SCHEMBL4669237 0.76 KCNH2 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KCNH2
SCHEMBL1619409 0.76 KCNH2 (0.54) MEN1KCNH2KCNA5
SCHEMBL4669159 0.75 KCNH2 (0.49) MEN1KCNH2KCNA5
SCHEMBL4139633 0.75 KCNH2 (0.53) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL3123059 0.73 KCNH2 (0.60) LTA4HKCNH2KCNA5

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 7 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-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
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
EP-1503782-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
WO-2003092721-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES ASTRAZENECA AB (SE) 2003-11-13 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 LTA4H 3753/4885NPC1 3603/4885RAB9A 1569/4885

“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.