SCHEMBL6093675

SCHEMBL6093675

COCCOCCNC(=O)N1CC2CN(CCCS(=O)(=O)c3ccc(C#N)cc3)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.40
HRH1 P35367 5/20 0.40
HRH3 Q9Y5N1 1/20 0.37
DRD3 P35462 7/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NAMPT P43490 1/20 0.36
DRD2 P14416 5/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GRIN2B Q13224 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
CCR3 P51677 1/20 0.34
CHRNA7 P36544 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
SCHEMBL5965488 0.88 HRH2 (0.37) HRH2HRH1HRH3DRD3ADRA2A
SCHEMBL6094059 0.87 HRH2 (0.42) HRH2HRH1HRH3
SCHEMBL6094578 0.86 HRH2 (0.40) HRH2HRH1HRH3DRD3ADRA2A
SCHEMBL6096585 0.85 MGLL (0.42) HRH2HRH1HRH3DRD3NAMPT
SCHEMBL6095924 0.84 HRH2 (0.45) HRH2HRH1HRH3GRIN2BCHRNA7
SCHEMBL6095508 0.84 HRH2 (0.41) HRH2HRH1HRH3DRD3DRD2
SCHEMBL7244499 0.84 HRH2 (0.38) HRH2HRH1HRH3DRD3ADRA2A
SCHEMBL6096906 0.83 HRH1 (0.46) HRH2HRH1HRH3DRD3ADRA1D
SCHEMBL6093832 0.81 HRH2 (0.41) HRH2HRH1HRH3NAMPTCCR3
SCHEMBL6093925 0.80 HRH2 (0.41) HRH2HRH1HRH3NAMPT

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 HRH2 2122/4885HRH1 2707/4885HRH3 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.