SCHEMBL6095447

SCHEMBL6095447

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL6093889 0.88 POLB (0.55) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6095152 0.86 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6096873 0.86 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6094907 0.86 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6094912 0.86 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6094194 0.84 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6096768 0.84 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6095122 0.83 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6096348 0.83 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6317264 0.83 POLB (0.53) KCNH2ALDH1A1KDM4EMEN1KMT2A

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 2/4885ALDH1A1 214/4885KDM4E 3426/4885

“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.