SCHEMBL6094877

SCHEMBL6094877

N#Cc1ccc(OCCN2CC3CN(C(=O)NC4CCCCO4)CC3C2)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NAMPT P43490 4/20 0.34
TBK1 Q9UHD2 1/20 0.33
PDGFRB P09619 4/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CHRNA7 P36544 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL6094505 0.88 HRH2 (0.44) HRH2HRH1
SCHEMBL6095378 0.82 XDH (0.39) USP30PDGFRBCHRNA7
SCHEMBL6093289 0.82 CHRNA7 (0.40) USP30HRH2HRH1NAMPTTBK1
SCHEMBL6097401 0.81 CHRNA7 (0.41) USP30HRH2HRH1PDGFRBDRD2
SCHEMBL6199791 0.80 USP30 (0.43) USP30PTGDR2HRH2HRH1ALDH1A1
SCHEMBL6094447 0.79 ALDH1A1 (0.43) NAMPTCHRNA7ALDH1A1HPGD
SCHEMBL6096940 0.78 MEN1 (0.39) HRH2HRH1NAMPTDRD2DRD3
SCHEMBL6093116 0.77 HTR7 (0.38) HRH2HRH1DRD2DRD3ALDH1A1
SCHEMBL6095086 0.77 KDM4E (0.48) HRH2HRH1ALDH1A1
SCHEMBL6093573 0.77 GRIN2B (0.43) P2RY12USP30PDGFRBGRIN2B

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 P2RY12 4154/4885USP30 4330/4885PTGDR2 944/4885

“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.