SCHEMBL6093908

SCHEMBL6093908

CC(=O)N1CCN(CCCN2CC3CN(CCCNc4ccc(C#N)cc4)CC3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.46
HRH1 P35367 4/20 0.42
HRH2 P25021 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.41
CCR5 P51681 1/20 0.40
EPHX2 P34913 2/20 0.40
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
OPRM1 P35372 2/20 0.39
KCNA5 P22460 1/20 0.39
KDM1A O60341 1/20 0.39
CCR2 P41597 1/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL6989013 0.92 EPHX2 (0.45) CCR3HRH1HRH2HRH3MEN1
SCHEMBL2966842 0.91 CCR3 (0.44) CCR3HRH1HRH2HRH3MEN1
SCHEMBL6092576 0.90 HRH1 (0.47) CCR3HRH1HRH2HRH3MEN1
SCHEMBL5965759 0.89 CCR3 (0.44) CCR3HRH1HRH2HRH3MEN1
SCHEMBL7244468 0.87 CCR5 (0.42) CCR3HRH1HRH2HRH3MEN1
SCHEMBL6095697 0.84 CCR3 (0.43) CCR3HRH1HRH2HRH3MEN1
SCHEMBL6095349 0.83 CCR3 (0.43) CCR3HRH1HRH2HRH3MEN1
SCHEMBL6095366 0.82 DRD3 (0.60) HRH1HRH2HRH3MEN1KCNA5
SCHEMBL2954294 0.82 HRH1 (0.45) CCR3HRH1HRH2HRH3MEN1
SCHEMBL6146890 0.81 CCR3 (0.37) CCR3HRH1HRH2HRH3MEN1

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 1966/4885HRH1 2707/4885HRH2 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.