Sugi Predict

Sugi Predict / Compounds / SCHEMBL3423966

SCHEMBL3423966

SCHEMBL3423966

CC(C)(C)OC(=O)NCCN1CC2CN(CCCCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.45
▸ KCNH2 Q12809 3/20 0.43
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ DRD2 P14416 10/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL5969996 0.89 KCNH2 (0.46) SIGMAR1KCNH2CCNCCDK8CA1
SCHEMBL1618250 0.88 DRD2 (0.45) SIGMAR1KCNH2CCNCCDK8DRD2
SCHEMBL2964384 0.88 KCNH2 (0.56) KCNH2CA1CA2HRH1
SCHEMBL3126044 0.87 KCNH2 (0.45) KCNH2CCNCCDK8DRD2RORC
SCHEMBL6150660 0.85 SIGMAR1 (0.47) SIGMAR1DRD2CA1CA2
SCHEMBL2967666 0.85 GPR119 (0.44) SIGMAR1KCNH2DRD2HTR1ADRD4
SCHEMBL2967590 0.85 KCNH2 (0.44) SIGMAR1KCNH2DRD2HTR1ADRD4
SCHEMBL2954489 0.85 KCNH2 (0.51) KCNH2DRD2CA1CA2HRH1
SCHEMBL3129914 0.84 KCNH2 (0.54) KCNH2CA1CA2HRH1
SCHEMBL4522398 0.83 DRD2 (0.42) SIGMAR1DRD2RORC

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036675-A1 New process for production of oxabispidines ASTRAZENECA AB (SE) 2009-02-05 — — US claimed
EP-1900741-A1 New process for the production of oxabispidines AstraZeneca AB (SE) 2008-03-19 — — EP claimed
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 — — US claimed
EP-1389212-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-07-12 — — EP claimed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 — — EP claimed
EP-1401502-B1 PHARMACEUTICAL FORMULATION COMPRISING IOTA-CARRAGEENAN AND AT LEAST ONE NEUTRAL GELLING POLYMER ASTRAZENECA AB (SE) 2005-12-28 — — EP claimed
US-20050171100-A1 Process for the production of oxabispidines ASTRAZENECA AB (SE) 2005-08-04 — — US claimed
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 — — EP claimed
EP-1550663-A1 New crystalline forms of antiarrhythmic compounds Astra Zeneca AB (SE) 2005-07-06 — — EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 — — EP claimed
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds ASTRAZENECA AB (SE) 2004-07-22 — — US claimed
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds ASTRAZENECA AB (SE) 2004-07-08 — — US claimed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP claimed
EP-1389212-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP claimed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 — — US claimed
EP-1330462-A1 NEW PROCESS FOR THE PRODUCTION OF OXABISPIDINES AstraZeneca AB (SE) 2003-07-30 — — EP claimed
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 claimed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO claimed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO claimed
WO-2002028864-A1 NEW PROCESS FOR THE PRODUCTION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-04-11 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SIGMAR1 1800/4885KCNH2 9/4885CCNC 973/4885
US-20050171100-A1 Process for the production of oxabispidines AVPR1B, CCNB3, CCNB1 SIGMAR1 1972/4885KCNH2 442/4885CCNC 90/4885
US-20090036675-A1 New process for production of oxabispidines AVPR1B, CCNB1, DHPS SIGMAR1 1058/4885KCNH2 424/4885CCNC 245/4885
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds HCN3, CACNB3, TNNI3 SIGMAR1 1952/4885KCNH2 51/4885CCNC 369/4885
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds SCN3A, KCNH1, CACNA1G SIGMAR1 1855/4885KCNH2 34/4885CCNC 697/4885

“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.