SCHEMBL6095860

SCHEMBL6095860

CC(C)NC(=O)N1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 3/20 0.44
ABCB1 P08183 3/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
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

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
SCHEMBL6737171 0.91 KCNH2 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6737941 0.91 KCNH2 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7098157 0.89 KCNH2 (0.43) KCNH2KDM4EALDH1A1
SCHEMBL6093377 0.89 KCNH2 (0.43) KCNH2KDM4EALDH1A1
SCHEMBL6096564 0.88 KCNH2 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6097022 0.88 KCNH2 (0.55) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5966010 0.87 KCNH2 (0.47) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6093755 0.85 HRH3 (0.49) KCNH2
SCHEMBL6095179 0.85 MEN1 (0.56) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6095326 0.84 MEN1 (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1

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 2/4885KDM4E 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.