SCHEMBL6093683

SCHEMBL6093683

N#Cc1ccc(NCCCN2CC3CN(C(=O)Nc4ccc(SC(F)(F)F)cc4)CC3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.42
NAMPT P43490 6/20 0.40
CCR3 P51677 1/20 0.40
CCR2 P41597 1/20 0.39
FAAH O00519 1/20 0.38
ABL1 P00519 2/20 0.38
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL6095299 0.88 EPHX2 (0.42) GRIN2BNAMPTCCR2FAAHABL1
SCHEMBL6094074 0.86 KCNA5 (0.47) GRIN2BNAMPTCCR2ABL1
SCHEMBL6095849 0.83 GRIN2B (0.61) GRIN2BNAMPT
SCHEMBL6094116 0.82 GRIN2B (0.44) GRIN2BNAMPTCCR3CCR2FAAH
SCHEMBL6095349 0.81 CCR3 (0.43) GRIN2BNAMPTCCR3CCR2DRD2
SCHEMBL6095697 0.81 CCR3 (0.43) GRIN2BNAMPTCCR3FAAHDRD2
SCHEMBL6095044 0.81 GRIN2B (0.39) GRIN2BNAMPTCCR3DRD2DRD3
SCHEMBL6094937 0.80 GRIN2B (0.45) GRIN2BNAMPTCCR2ABL1
SCHEMBL6095439 0.80 GRIN2B (0.40) GRIN2BNAMPTABL1
SCHEMBL6092565 0.80 GRIN2B (0.45) GRIN2BNAMPTCCR2FAAHABL1

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 921/4885NAMPT 4292/4885CCR3 1966/4885

“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.