SCHEMBL6093884

SCHEMBL6093884

COc1ccc(CCN2CC3CN(C[C@@H](O)COc4ccc(C#N)cc4)CC3C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MCHR1 Q99705 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.42

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
SCHEMBL6093886 1.00 KCNH2 (0.49) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1
SCHEMBL7028336 0.94 KCNH2 (0.47) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1
SCHEMBL2966825 0.93 KCNH2 (0.59) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1
SCHEMBL5965433 0.89 KCNH2 (0.45) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1
SCHEMBL5965590 0.89 MCHR1 (0.46) KCNH2MCHR1ALDH1A1KDM4EKMT2A
SCHEMBL6095487 0.86 MCHR1 (0.52) KCNH2MCHR1ALDH1A1KDM4EKMT2A
SCHEMBL7252435 0.85 KMT2A (0.44) KCNH2MCHR1ALDH1A1KMT2AMEN1
SCHEMBL7245279 0.85 KMT2A (0.43) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1
SCHEMBL6742864 0.81 KCNH2 (0.44) KCNH2MCHR1ALDH1A1KMT2AMEN1
SCHEMBL6622817 0.80 LMNA (0.44) KCNH2MCHR1ALDH1A1KDM4EL3MBTL1

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 KCNH2 2/4885MCHR1 2933/4885ALDH1A1 214/4885

“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.