SCHEMBL6095146

SCHEMBL6095146

O=C(OCCc1ccncc1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TBXAS1 P24557 5/20 0.38
CYP24A1 Q07973 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX4 Q99571 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4059533 0.90 P2RX4 (0.48) CYP3A4ALDH1A1GRIN2BP2RX4
SCHEMBL12016623 0.85 ALDH1A1 (0.39) CYP2D6CYP2C9MEN1ALDH1A1LMNA
SCHEMBL1621471 0.84 CYP19A1 (0.42) CYP3A4CYP2D6CYP2C9CYP11B1MEN1
SCHEMBL20635282 0.83 CYP2D6 (0.46) CYP3A4CYP2D6CYP2C9CYP11B1LMNA
SCHEMBL23764025 0.81 LMNA (0.51) MEN1ALDH1A1LMNAKMT2ATBXAS1
SCHEMBL15464597 0.80 ALDH1A1 (0.36) CYP2D6CYP2C9ALDH1A1TBXAS1CYP24A1
SCHEMBL15465728 0.80 ALDH1A1 (0.36) CYP2D6CYP2C9ALDH1A1TBXAS1CYP24A1
SCHEMBL12467754 0.80 ALDH1A1 (0.36) CYP2D6CYP2C9ALDH1A1TBXAS1CYP24A1
SCHEMBL12016624 0.80 ALDH1A1 (0.36) CYP2D6CYP2C9ALDH1A1TBXAS1CYP24A1
SCHEMBL15435863 0.80 CYP19A1 (0.49) CYP2D6CYP2C9CYP11B1TBXAS1CYP19A1

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 13 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
CN-1854138-A 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-11-01 CN disclosed
CN-1263758-C 3, 7-diazabicyclo [3.3.0] octane and its use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
CN-1229350-C New azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-11-30 CN 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
CN-1489592-A 3, 7-diazabicyclo [3.3.0] octane and its use in the treatment of cardiac arrhythmias 2004-04-14 CN 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
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US 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
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 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 (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 CYP3A4 115/4885CYP2D6 71/4885CYP2C9 126/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 CYP3A4 231/4885CYP2D6 69/4885CYP2C9 118/4885

“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.