SCHEMBL4497540

SCHEMBL4497540

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
STS P08842 1/20 0.42
PTPRB P23467 1/20 0.40
PTPN11 Q06124 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.38
NAMPT P43490 2/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
RORC P51449 1/20 0.37
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2969477 0.80 GPR119 (0.45) JAK2JAK1SMN1; SMN2STSOPRD1
SCHEMBL4508018 0.79 GPR119 (0.40) OPRM1NAMPT
Hydrochloric Acid SCHEMBL2966195 0.79 GPR119 (0.44) JAK2JAK1SMN1; SMN2STSOPRD1
SCHEMBL4514332 0.77 KCNH2 (0.42)
Hydrochloric Acid SCHEMBL4516356 0.77 ALDH1A1 (0.39) SMN1; SMN2OPRM1OPRD1ALDH1A1POLB
SCHEMBL4518316 0.76 CNR1 (0.42) SMN1; SMN2ALDH1A1GAA
SCHEMBL4501796 0.76 PER2 (0.42) SMN1; SMN2ALDH1A1NR1H2GAA
SCHEMBL2327412 0.75 MEN1 (0.50) JAK2JAK1SMN1; SMN2STSNAMPT
SCHEMBL4523456 0.73 KCNH2 (0.41)
SCHEMBL4512631 0.73 FNTA (0.43) SMN1; SMN2ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E JAK2 3753/4885JAK1 4115/4885SMN1; SMN2 1997/4885

“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.