SCHEMBL6095948

SCHEMBL6095948

CC(C)NC(=O)CN1CC2CN(C[C@H](N)COc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
KCNA5 P22460 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6097022 0.89 KCNH2 (0.55) KCNH2ALDH1A1ATML3MBTL1KDM4E
SCHEMBL7098157 0.88 KCNH2 (0.43) KCNH2GRIN1GRIN2BHRH3MMP2
SCHEMBL6093377 0.88 KCNH2 (0.43) KCNH2GRIN1GRIN2BHRH3MMP2
SCHEMBL6093562 0.84 KCNA5 (0.54) KCNH2GRIN1GRIN2BHRH3KCNA5
SCHEMBL6095815 0.83 GRIN1 (0.44) KCNH2GRIN1GRIN2BHRH3MMP2
SCHEMBL6095817 0.83 GRIN1 (0.44) KCNH2GRIN1GRIN2BHRH3MMP2
SCHEMBL7036098 0.82 KCNH2 (0.52) KCNH2ALDH1A1ATML3MBTL1KDM4E
SCHEMBL2969492 0.81 KCNH2 (0.66) KCNH2ALDH1A1ATML3MBTL1KDM4E
SCHEMBL5965737 0.80 KCNA5 (0.41) HRH3KCNA5ALDH1A1HRH2HRH1
SCHEMBL6095730 0.80 CHRNA7 (0.41) KCNH2GRIN1GRIN2BHRH3MMP2

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 KCNH2 2/4885GRIN1 1614/4885GRIN2B 921/4885

“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.