SCHEMBL6097129

SCHEMBL6097129

CC(=O)N1CCN(CCOC(=O)N2CC3CN(C[C@H](O)COc4ccc(C#N)cc4)CC3C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KCNH2 Q12809 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
DRD3 P35462 1/20 0.45
KCNA5 P22460 2/20 0.45
GLA P06280 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
SCHEMBL6622531 0.92 POLB (0.48) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL2963414 0.91 KCNH2 (0.56) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL6096247 0.89 HRH1 (0.57) HRH2HRH1HRH3MEN1DRD3
SCHEMBL6094455 0.88 KDM4E (0.61) L3MBTL1HRH2HRH1HRH3KCNH2
SCHEMBL6094259 0.88 POLB (0.54) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL6094254 0.88 POLB (0.54) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL7168545 0.86 KCNH2 (0.45) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL6096768 0.85 KCNH2 (0.49) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL7248379 0.85 POLB (0.46) POLBL3MBTL1HRH2HRH1HRH3
SCHEMBL6093889 0.85 POLB (0.55) POLBHRH2HRH1HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 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 (1 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E POLB 1934/4885L3MBTL1 936/4885HRH2 2122/4885

“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.