SCHEMBL6096940

SCHEMBL6096940

N#Cc1ccc(NCCCN2CC3CN(C(=O)NC4CCCCO4)CC3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.37
DRD2 P14416 7/20 0.36
DRD3 P35462 7/20 0.36
HTR2A P28223 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX1 P07099 1/20 0.35
CCR2 P41597 1/20 0.35
NAMPT P43490 4/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5965558 0.87 CCR2 (0.37) MEN1HRH2HRH1CCR3DRD2
SCHEMBL6093116 0.85 HTR7 (0.38) HRH2HRH1DRD2DRD3HTR2A
SCHEMBL6094505 0.83 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6095349 0.80 CCR3 (0.43) MEN1HRH2HRH1CCR3DRD2
SCHEMBL6095697 0.80 CCR3 (0.43) MEN1HRH2HRH1CCR3DRD2
SCHEMBL6092625 0.80 MEN1 (0.39) MEN1HRH2HRH1CCR3DRD2
SCHEMBL6095593 0.80 CCR3 (0.45) MEN1HRH2HRH1CCR3HTR2A
SCHEMBL6094371 0.79 CCR3 (0.41) MEN1HRH2HRH1CCR3DRD2
SCHEMBL6094877 0.78 P2RY12 (0.35) HRH2HRH1DRD2DRD3NAMPT
SCHEMBL6095076 0.78 HRH3 (0.41) MEN1HRH2HRH1CCR3DRD2

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 MEN1 2521/4885HRH2 2122/4885HRH1 2707/4885

“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.