SCHEMBL6094463

SCHEMBL6094463

COc1ccc(OC(CCCN2CC3CN(C(=O)OC(C)(C)C)CC3C2)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.40
GPR119 Q8TDV5 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
SLC6A4 P31645 1/20 0.39
NSD2 O96028 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
STS P08842 1/20 0.37
MAPT P10636 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MCHR1 Q99705 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL6733555 0.92 PDE4B (0.39) PDE4BGPR119HRH3SLC6A4NSD2
SCHEMBL4414313 0.91 PDE4B (0.39) PDE4BGPR119HRH3SLC6A4NSD2
SCHEMBL6093345 0.89 HRH3 (0.42) HRH3SLC6A4MAPTMCHR1HRH2
SCHEMBL5965803 0.88 GPR119 (0.41) PDE4BGPR119HRH3SLC6A4NSD2
SCHEMBL5965715 0.88 GPR119 (0.41) PDE4BGPR119HRH3SLC6A4NSD2
SCHEMBL5965689 0.88 SLC6A4 (0.39) GPR119HRH3SLC6A4NSD2EHMT2
SCHEMBL6095712 0.87 HRH3 (0.40) HRH3SLC6A4MAPTMCHR1HRH2
SCHEMBL6095424 0.85 POLB (0.41) HRH3SLC6A4MAPTMCHR1HRH2
SCHEMBL7244323 0.85 HRH3 (0.40) GPR119HRH3SLC6A4MAPTMCHR1
SCHEMBL6094346 0.83 MCHR1 (0.46) HRH3SLC6A4MAPTMCHR1HRH2

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 PDE4B 1513/4885GPR119 3060/4885HRH3 3033/4885

“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.