Sugi Predict

Sugi Predict / Compounds / SCHEMBL1618013

SCHEMBL1618013

SCHEMBL1618013

CC(C)(C)OC(=O)NCCN1CC2CNCC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.45
▸ DRD2 P14416 6/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 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
SCHEMBL1619685 0.85 DRD2 (0.38) CACNA1HDRD2KMT2AALDH1A1JAK2
SCHEMBL30363139 0.82 TDP1 (0.51) DRD2MEN1GAAKMT2AEPHX1
SCHEMBL24134144 0.82 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL31421588 0.80 CACNA1H (0.50) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL24951480 0.79 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL18233679 0.79 CACNA1H (0.49) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL1619333 0.78 DRD2 (0.49) DRD2MEN1KMT2A
SCHEMBL3127669 0.78 AVPR1A (0.34) MEN1KMT2A
SCHEMBL26003617 0.77 CACNA1H (0.51) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL22074954 0.77 MEN1 (0.46) CACNA1HDRD2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554285-B1 CHEMICAL INTERMEDIATE ASTRAZENECA AB (SE) 2010-01-13 — — EP claimed
US-20090240051-A1 New process for the production of oxabispidines ASTRAZENECA AB (SE) 2009-09-24 — — US claimed
US-20090062532-A1 Chemical Intermediate ASTRAZENECA AB (SE) 2009-03-05 — — US claimed
US-7314931-B2 Chemical intermediate ASTRAZENECA AB (SE) 2008-01-01 — — US claimed
US-20060199814-A1 Chemical Intermediate ASTRAZENECA AB (SE) 2006-09-07 — — US claimed
EP-1554285-A1 CHEMICAL INTERMEDIATE AstraZeneca AB (SE) 2005-07-20 — — EP claimed
WO-2004035592-A1 CHEMICAL INTERMEDIATE ASTRAZENECA AB (SE) 2004-04-29 — — WO claimed
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-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 — — US disclosed
EP-1554285-B1 CHEMICAL INTERMEDIATE ASTRAZENECA AB (SE) 2010-01-13 — — EP disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 — — US disclosed
US-20090062532-A1 Chemical Intermediate ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
EP-1389212-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
EP-1385850-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO disclosed
WO-2002083690-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 — — WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — 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 (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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E CACNA1H 19/4885DRD2 631/4885MEN1 2587/4885
US-20090240051-A1 New process for the production of oxabispidines AVPR1B, CCNB1, QDPR CACNA1H 1127/4885DRD2 227/4885MEN1 2978/4885
US-20100222335-A1 Process For The Preparation Of N,N'-Disubstituted Oxabispidines ADH1C, ADH5, ADH1A CACNA1H 1110/4885DRD2 12/4885MEN1 2978/4885
US-20090062532-A1 Chemical Intermediate NAT1, CYP2B6, CBR1 CACNA1H 2645/4885DRD2 1890/4885MEN1 681/4885
US-20060199814-A1 Chemical Intermediate CBR3, CBR1, CYP1B1 CACNA1H 4049/4885DRD2 962/4885MEN1 939/4885

“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.