SCHEMBL6094523

SCHEMBL6094523

COc1ccc(OC(CCCN2CC3CNCC3C2)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
HRH2 P25021 2/20 0.53
HRH1 P35367 2/20 0.53
SLC6A4 P31645 4/20 0.44
MCHR1 Q99705 1/20 0.37
SLC6A2 P23975 1/20 0.36
DRD3 P35462 1/20 0.36
AR P10275 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 1/20 0.35
HTR1A P08908 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6738560 0.91 HRH3 (0.42) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL2968077 0.90 HRH3 (0.42) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL5965675 0.88 HRH3 (0.44) HRH3HRH2HRH1SLC6A4DRD3
SCHEMBL6094346 0.87 MCHR1 (0.46) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL7244049 0.86 HRH3 (0.42) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL6093345 0.86 HRH3 (0.42) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL6095424 0.86 POLB (0.41) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL5965603 0.86 HRH3 (0.39) HRH3HRH2HRH1SLC6A4SLC6A2
SCHEMBL6095712 0.84 HRH3 (0.40) HRH3HRH2HRH1SLC6A4MCHR1
SCHEMBL6990939 0.83 HRH3 (0.42) HRH3HRH2HRH1SLC6A4MCHR1

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 3 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

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 3033/4885HRH2 2122/4885HRH1 2707/4885

“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.