SCHEMBL6096873

SCHEMBL6096873

CC(C)(C)OC(=O)N1CC2CN(CC(O)COc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GPR119 Q8TDV5 2/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
POLB P06746 2/20 0.45
ABCB1 P08183 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
HTR2A P28223 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
SCHEMBL6095152 1.00 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6610442 0.95 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6094194 0.92 KCNH2 (0.49) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6095122 0.91 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29388816 0.91 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6316328 0.91 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6622413 0.91 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2959969 0.90 KCNH2 (0.61) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6615581 0.90 KCNH2 (0.44) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6622887 0.89 KCNH2 (0.47) KCNH2KDM4EALDH1A1MEN1KMT2A

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 2/4885KDM4E 3426/4885ALDH1A1 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.