SCHEMBL6095849

SCHEMBL6095849

COc1ccc(NC(=O)N2CC3CN(CCCNc4ccc(C#N)cc4)CC3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.61
KCNA5 P22460 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PAX8 Q06710 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN9A Q15858 1/20 0.42
NAMPT P43490 2/20 0.42
BLM P54132 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CCR6 P51684 1/20 0.41

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
SCHEMBL6094526 0.87 GRIN2B (0.64) GRIN2BKCNA5MAPTKMT2A
SCHEMBL6094104 0.86 GRIN2B (0.58) GRIN2BKCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6095349 0.85 CCR3 (0.43) GRIN2BNAMPT
SCHEMBL6094116 0.83 GRIN2B (0.44) GRIN2BKMT2ANAMPT
SCHEMBL6093683 0.83 GRIN2B (0.42) GRIN2BNAMPT
SCHEMBL6094371 0.83 CCR3 (0.41) GRIN2BKMT2ASMN1; SMN2NAMPTBLM
SCHEMBL7250778 0.83 KCNA5 (0.45) GRIN2BKCNA5MAPTKMT2ASMN1; SMN2
SCHEMBL6095697 0.82 CCR3 (0.43) GRIN2BKMT2ANAMPT
SCHEMBL6095076 0.82 HRH3 (0.41) GRIN2BCYP2C19NAMPT
SCHEMBL6092625 0.82 MEN1 (0.39) GRIN2BNAMPT

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 GRIN2B 921/4885KCNA5 46/4885MAPT 4824/4885

“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.