SCHEMBL6095044

SCHEMBL6095044

CC(C)(C)NC(=O)N1CC2CN(CCCNc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
CCR3 P51677 1/20 0.39
AR P10275 5/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
CSNK1E P49674 2/20 0.38
CSNK1D P48730 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
MEN1 O00255 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KMT2A Q03164 1/20 0.36
NAMPT P43490 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
SCHEMBL6095349 0.88 CCR3 (0.43) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6094371 0.86 CCR3 (0.41) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6095697 0.86 CCR3 (0.43) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6092625 0.85 MEN1 (0.39) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6095076 0.85 HRH3 (0.41) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6095007 0.84 HRH3 (0.43) GRIN2BCCR3HRH2HRH1DRD2
SCHEMBL6093964 0.84 GPR119 (0.43) ARHRH2HRH1DRD2
SCHEMBL6095593 0.83 CCR3 (0.45) GRIN2BCCR3HRH2HRH1MEN1
SCHEMBL6094385 0.83 CCR3 (0.40) GRIN2BCCR3ARHRH2HRH1
SCHEMBL6094707 0.83 HRH2 (0.38) GRIN2BCCR3ARHRH2HRH1

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 GRIN2B 921/4885CCR3 1966/4885AR 2247/4885

“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.