SCHEMBL6095439

SCHEMBL6095439

N#Cc1ccc(OCCN2CC3CN(C(=O)Nc4ccc(SC(F)(F)F)cc4)CC3C2)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.40
PDGFRB P09619 12/20 0.39
ABL1 P00519 2/20 0.38
NAMPT P43490 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
SCHEMBL6094074 0.88 KCNA5 (0.47) GRIN2BPDGFRBABL1NAMPT
SCHEMBL5965859 0.88 AR (0.40) GRIN2BPDGFRBABL1NAMPT
SCHEMBL6093498 0.85 GRIN2B (0.57) GRIN2BPDGFRB
SCHEMBL6093573 0.85 GRIN2B (0.43) GRIN2BPDGFRB
SCHEMBL6093683 0.80 GRIN2B (0.42) GRIN2BABL1NAMPT
SCHEMBL6097401 0.79 CHRNA7 (0.41) GRIN2BPDGFRB
SCHEMBL6199791 0.78 USP30 (0.43)
SCHEMBL6095378 0.78 XDH (0.39) PDGFRB
SCHEMBL6093289 0.78 CHRNA7 (0.40) GRIN2BPDGFRBNAMPT
SCHEMBL6095299 0.77 EPHX2 (0.42) GRIN2BABL1NAMPT

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 921/4885PDGFRB 3814/4885ABL1 4608/4885

“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.