SCHEMBL2969477

SCHEMBL2969477

CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)CC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
STS P08842 1/20 0.45
NAMPT P43490 1/20 0.45
TP53 P04637 4/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 1/20 0.44
RORC P51449 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 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
Hydrochloric Acid SCHEMBL2966195 0.99 GPR119 (0.44) GPR119JAK2JAK1STSNAMPT
SCHEMBL649847 0.86 KCNK3 (0.55) GPR119JAK2JAK1STSNAMPT
SCHEMBL16053284 0.86 KCNK3 (0.55) GPR119JAK2JAK1STSNAMPT
SCHEMBL584450 0.86 KCNK3 (0.55) GPR119JAK2JAK1STSNAMPT
SCHEMBL2327412 0.85 MEN1 (0.50) GPR119JAK2JAK1STSNAMPT
SCHEMBL3121813 0.85 GPR119 (0.48) GPR119NAMPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6095348 0.85 KCNK3 (0.54) GPR119JAK2JAK1STSNAMPT
Hydrochloric Acid SCHEMBL6093599 0.85 KCNK3 (0.54) GPR119JAK2JAK1STSNAMPT
Hydrochloric Acid SCHEMBL4667417 0.84 GPR119 (0.47) GPR119NAMPTSMN1; SMN2
SCHEMBL584913 0.84 JAK2 (0.48) GPR119JAK2JAK1STSNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
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
US-7091198-B1 2,5-disubstituted pyrimidine derivatives BAYER HEALTHCARE AG (DE) 2006-08-15 US disclosed
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060167016-A1 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 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
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 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 (6 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 GPR119 3836/4885JAK2 4521/4885JAK1 4235/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B GPR119 2853/4885JAK2 2785/4885JAK1 3169/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E GPR119 2719/4885JAK2 3599/4885JAK1 3872/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E GPR119 3115/4885JAK2 3688/4885JAK1 4083/4885
US-20060167016-A1 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES PDE7A, P2RY2, CGAS GPR119 246/4885JAK2 909/4885JAK1 1100/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E GPR119 2719/4885JAK2 3599/4885JAK1 3872/4885

“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.