SCHEMBL6094526

SCHEMBL6094526

COc1ccc(NC(=O)N2CC3CN(CCOc4ccc(C#N)cc4)CC3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.64
KCNA5 P22460 5/20 0.64
MAPT P10636 1/20 0.48
PDGFRB P09619 6/20 0.47
KMT2A Q03164 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL6093498 0.89 GRIN2B (0.57) GRIN2BKCNA5PDGFRB
SCHEMBL6095849 0.87 GRIN2B (0.61) GRIN2BKCNA5MAPTKMT2A
SCHEMBL6096184 0.85 GRIN2B (0.47) GRIN2BKCNA5PDGFRB
SCHEMBL6093945 0.85 GRIN2B (0.61) GRIN2BKCNA5MAPTKMT2A
SCHEMBL5965794 0.85 GRIN2B (0.58) GRIN2BKCNA5MAPTPDGFRBKMT2A
SCHEMBL6094104 0.85 GRIN2B (0.58) GRIN2BKCNA5MAPTKMT2A
SCHEMBL6094074 0.85 KCNA5 (0.47) GRIN2BKCNA5PDGFRBKMT2A
SCHEMBL6096729 0.84 GRIN2B (0.60) GRIN2BKCNA5MAPTKMT2A
SCHEMBL6096450 0.83 HRH2 (0.53) GRIN2BKCNA5MAPT
SCHEMBL6093755 0.82 HRH3 (0.49) KCNA5

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 GRIN2B 921/4885KCNA5 46/4885MAPT 4824/4885

“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.