SCHEMBL6095086

SCHEMBL6095086

N#Cc1ccc(OC[C@@H](O)CN2CC3CN(C(=O)NC4CCCCO4)CC3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNH2 Q12809 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR3 P51677 1/20 0.38
ATM Q13315 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
HRH2 P25021 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
SCHEMBL6741886 0.92 KDM4E (0.46) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL5965561 0.89 ALDH1A1 (0.43) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6094505 0.86 HRH2 (0.44) HRH1HRH2
SCHEMBL7247022 0.84 KCNH2 (0.46) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6095860 0.81 KCNH2 (0.55) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6095326 0.80 MEN1 (0.50) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6096564 0.79 KCNH2 (0.52) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6095179 0.78 MEN1 (0.56) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6737081 0.78 HRH2 (0.36) KDM4EALDH1A1KCNH2MEN1KMT2A
SCHEMBL6096940 0.78 MEN1 (0.39) ALDH1A1MEN1HRH1CCR3HRH2

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 KDM4E 3426/4885ALDH1A1 214/4885KCNH2 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.