SCHEMBL6094096

SCHEMBL6094096

CCCCS(=O)(=O)N1CC2CN(CCCC(Oc3ccc(OC)c(OC)c3)c3ccc(C#N)cc3)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
SLC6A4 P31645 3/20 0.40
NPC1 O15118 1/20 0.37
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.34
DRD3 P35462 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL6997028 0.93 HRH3 (0.38) HRH3SLC6A4NPC1HRH2HRH1
SCHEMBL2959501 0.92 KCNH2 (0.38) HRH3SLC6A4NPC1HRH2HRH1
SCHEMBL5965915 0.90 NPC1 (0.37) HRH3SLC6A4NPC1HRH2HRH1
SCHEMBL5965518 0.89 HRH3 (0.39) HRH3SLC6A4NPC1HRH2HRH1
SCHEMBL7246406 0.86 HRH3 (0.37) HRH3SLC6A4NPC1HRH2HRH1
SCHEMBL7248543 0.86 HRH3 (0.40) HRH3SLC6A4HRH2HRH1MCHR1
SCHEMBL6093345 0.84 HRH3 (0.42) HRH3SLC6A4HRH2HRH1MCHR1
SCHEMBL6094346 0.84 MCHR1 (0.46) HRH3SLC6A4HRH2HRH1MCHR1
SCHEMBL6094523 0.83 HRH3 (0.53) HRH3SLC6A4HRH2HRH1MCHR1
SCHEMBL5965629 0.83 HRH3 (0.37) HRH3SLC6A4HRH2HRH1MCHR1

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 3186/4885NPC1 1255/4885

“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.