SCHEMBL6095697

SCHEMBL6095697

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.43
MEN1 O00255 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
DRD2 P14416 6/20 0.38
DRD3 P35462 6/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.37
NAMPT P43490 2/20 0.37
GRIN2B Q13224 2/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL6321858 0.94 CCR3 (0.41) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6095349 0.89 CCR3 (0.43) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6623202 0.88 CCR3 (0.42) CCR3MEN1HRH2HRH1KMT2A
SCHEMBL2967583 0.87 KCNH2 (0.45) CCR3MEN1HRH2HRH1DRD2
SCHEMBL6094371 0.87 CCR3 (0.41) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6094571 0.87 HRH1 (0.49) CCR3MEN1HRH3HRH2HRH1
Oxalic Acid SCHEMBL4483558 0.86 MEN1 (0.44) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6095076 0.86 HRH3 (0.41) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6095593 0.86 CCR3 (0.45) CCR3MEN1HRH3HRH2HRH1
SCHEMBL6095044 0.86 GRIN2B (0.39) CCR3MEN1HRH3HRH2HRH1

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 3 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

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 CCR3 1966/4885MEN1 2521/4885HRH3 3033/4885

“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.