SCHEMBL6093345

SCHEMBL6093345

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
SLC6A4 P31645 3/20 0.42
MAPT P10636 1/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
MCHR1 Q99705 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
NOS2 P35228 1/20 0.37
DRD3 P35462 2/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
HTR1A P08908 2/20 0.36
CACNA1F O60840 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 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
SCHEMBL6740792 0.91 SLC6A4 (0.41) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL2966856 0.91 SLC6A4 (0.40) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL6094463 0.89 PDE4B (0.40) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL6095424 0.89 POLB (0.41) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL6095712 0.87 HRH3 (0.40) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL5965542 0.87 SLC6A4 (0.41) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL5965939 0.87 MAPT (0.38) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL6094346 0.86 MCHR1 (0.46) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL6094523 0.86 HRH3 (0.53) HRH3SLC6A4MAPTHRH2HRH1
SCHEMBL7248290 0.85 HRH3 (0.43) HRH3SLC6A4MAPTHRH2HRH1

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 HRH3 3033/4885SLC6A4 3186/4885MAPT 4824/4885

“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.