SCHEMBL6093945

SCHEMBL6093945

COc1ccc(NC(=O)N2CC3CN(C[C@H](O)COc4ccc(C#N)cc4)CC3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 1/20 0.49
KCNA5 P22460 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL6734803 0.92 GRIN2B (0.54) GRIN2BL3MBTL1KCNH2KCNA5KDM4E
SCHEMBL6096729 0.90 GRIN2B (0.60) GRIN2BKCNA5MAPTKMT2A
SCHEMBL5965595 0.87 GRIN2B (0.55) GRIN2BL3MBTL1KCNH2KCNA5MAPT
SCHEMBL6739974 0.86 KCNH2 (0.49) GRIN2BL3MBTL1KCNH2KDM4EALDH1A1
SCHEMBL6095608 0.86 KCNH2 (0.45) GRIN2BKCNH2KDM4EPOLBALDH1A1
SCHEMBL6094937 0.86 GRIN2B (0.45) GRIN2BKCNH2KDM4EPOLBALDH1A1
SCHEMBL6094526 0.85 GRIN2B (0.64) GRIN2BKCNA5MAPTKMT2A
SCHEMBL6095860 0.84 KCNH2 (0.55) L3MBTL1KCNH2KDM4EPOLBALDH1A1
SCHEMBL6096564 0.84 KCNH2 (0.52) L3MBTL1KCNH2KDM4EPOLBALDH1A1
SCHEMBL6739331 0.83 KCNH2 (0.46) GRIN2BKCNH2KCNA5KDM4EPOLB

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 GRIN2B 921/4885L3MBTL1 936/4885KCNH2 2/4885

“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.