SCHEMBL6094074

SCHEMBL6094074

N#Cc1ccc(OCCN2CC3CN(C(=O)Nc4ccc(SC(F)(F)F)cc4)CC3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.47
GRIN2B Q13224 2/20 0.47
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NAMPT P43490 2/20 0.40
ABL1 P00519 2/20 0.39
PDGFRB P09619 4/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 1/20 0.39
LIPE Q05469 1/20 0.38

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
SCHEMBL6095439 0.88 GRIN2B (0.40) GRIN2BNAMPTABL1PDGFRB
SCHEMBL6094937 0.87 GRIN2B (0.45) GRIN2BNAMPTABL1KMT2ACCR2
SCHEMBL6093683 0.86 GRIN2B (0.42) GRIN2BNAMPTABL1CCR2
SCHEMBL6092565 0.86 GRIN2B (0.45) KCNA5GRIN2BNAMPTABL1KMT2A
SCHEMBL6094526 0.85 GRIN2B (0.64) KCNA5GRIN2BPDGFRBKMT2A
SCHEMBL6095299 0.83 EPHX2 (0.42) GRIN2BNAMPTABL1CCR2
SCHEMBL6096184 0.82 GRIN2B (0.47) KCNA5GRIN2BHRH2HRH1HRH3
SCHEMBL5965916 0.79 GRIN2B (0.39) KCNA5GRIN2BNAMPTABL1PDGFRB
SCHEMBL6096450 0.76 HRH2 (0.53) KCNA5GRIN2BHRH2HRH1HRH3
SCHEMBL5965935 0.76 GRIN2B (0.38) GRIN2BNAMPTABL1KMT2ACCR2

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 KCNA5 46/4885GRIN2B 921/4885HRH2 2122/4885

“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.