SCHEMBL1619059

SCHEMBL1619059

CC(C)(C)OC(=O)NCCCN1CC2CN(Cc3ccccc3)CC(C1)O2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
DRD2 P14416 9/20 0.51
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1619333 0.94 DRD2 (0.49) SIGMAR1DRD2NPFFR1NPFFR2KMT2A
SCHEMBL1618250 0.87 DRD2 (0.45) SIGMAR1DRD2ALDH1A1
SCHEMBL19734921 0.84 SIGMAR1 (0.68) SIGMAR1DRD2NPFFR1NPFFR2ALDH1A1
SCHEMBL4670377 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL18463376 0.83 DRD2 (0.52) SIGMAR1DRD2NPFFR1NPFFR2KMT2A
SCHEMBL1619259 0.83 CYP2D6 (0.42) SIGMAR1DRD2NPFFR1NPFFR2KMT2A
SCHEMBL30363139 0.83 TDP1 (0.51) SIGMAR1DRD2KMT2A
SCHEMBL31165348 0.82 NPFFR1 (0.49) SIGMAR1DRD2NPFFR1NPFFR2ALDH1A1
SCHEMBL23924608 0.79 SIGMAR1 (0.52) SIGMAR1DRD2NPFFR1NPFFR2ALDH1A1
SCHEMBL23924607 0.79 SIGMAR1 (0.52) SIGMAR1DRD2NPFFR1NPFFR2ALDH1A1

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-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ASTRAZENECA AB (SE) 2010-09-02 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1915380-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES AstraZeneca AB (SE) 2008-04-30 EP disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006137770-A1 PROCESS FOR THE PREPARATION OF N,N´- DISUBSTITUTED OXABISPIDINES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 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 (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-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ADH1C, ADH5, ADH1A SIGMAR1 116/4885DRD2 12/4885NPFFR1 174/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SIGMAR1 975/4885DRD2 553/4885NPFFR1 1533/4885

“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.