SCHEMBL6094444

SCHEMBL6094444

CC(=O)OCC(C)(C)OC(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.33
TBXAS1 P24557 8/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL10359587 0.81 TBXAS1 (0.36) CYP24A1TBXAS1ALDH1A1GPR119
SCHEMBL29247460 0.80 CYP24A1 (0.35) CYP24A1TBXAS1ALDH1A1GPR119
SCHEMBL13479037 0.79 TBXAS1 (0.35) CYP24A1TBXAS1ALDH1A1GPR119
SCHEMBL217823 0.77 GPR119 (0.42) CYP24A1TBXAS1L3MBTL1GPR119
SCHEMBL17026721 0.77 TBXAS1 (0.37) CYP24A1TBXAS1
SCHEMBL12093553 0.76 CYP24A1 (0.36) CYP24A1TBXAS1ALDH1A1GPR119
SCHEMBL23604883 0.76 AHR (0.31) CYP24A1TBXAS1
SCHEMBL1199386 0.75 AHR (0.36) CYP24A1TBXAS1ALDH1A1GPR119
SCHEMBL26492704 0.75 TBXAS1 (0.32) CYP24A1TBXAS1
SCHEMBL16391056 0.74 CYP24A1 (0.32) CYP24A1TBXAS1

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
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 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 (2 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 CYP24A1 285/4885TBXAS1 769/4885L3MBTL1 936/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 CYP24A1 243/4885TBXAS1 641/4885L3MBTL1 2420/4885

“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.