SCHEMBL6094329

SCHEMBL6094329

N#Cc1ccc(OC[C@H](N)CN2CC3CN(CC4CC4)CC3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
HRH3 Q9Y5N1 6/20 0.46
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6094323 1.00 SIGMAR1 (0.54) SIGMAR1HRH3GRIN1GRIN2BHRH2
SCHEMBL6093365 0.85 KDM4E (0.56) SIGMAR1HRH3GRIN1GRIN2BHRH1
SCHEMBL6093369 0.85 KDM4E (0.56) SIGMAR1HRH3GRIN1GRIN2BHRH1
SCHEMBL6093806 0.82 CHRNA7 (0.41) SIGMAR1HRH3GRIN1GRIN2BHRH2
SCHEMBL6094931 0.79 DRD2 (0.47) HRH3HRH1
SCHEMBL6094936 0.79 DRD2 (0.47) HRH3HRH1
SCHEMBL6094373 0.79 HRH3 (0.45) HRH3HRH2HRH1MEN1
SCHEMBL6094368 0.79 HRH3 (0.45) HRH3HRH2HRH1MEN1
SCHEMBL7098324 0.79 HRH3 (0.45) HRH3HRH2HRH1MEN1
SCHEMBL6317973 0.78 GRIN1 (0.40) HRH3GRIN1GRIN2BHRH2HRH1

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 SIGMAR1 1091/4885HRH3 3033/4885GRIN1 1614/4885

“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.