SCHEMBL6092565

SCHEMBL6092565

N#Cc1ccc(OC[C@@H](N)CN2CC3CN(C(=O)Nc4ccc(SC(F)(F)F)cc4)CC3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.45
ABL1 P00519 2/20 0.38
KIT P10721 1/20 0.38
NAMPT P43490 2/20 0.37
CCR2 P41597 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPE Q05469 3/20 0.36
FAAH O00519 2/20 0.36
KCNA5 P22460 1/20 0.35
KIF11 P52732 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
SCHEMBL6094937 0.91 GRIN2B (0.45) GRIN2BABL1NAMPTCCR2KMT2A
SCHEMBL6094074 0.86 KCNA5 (0.47) GRIN2BABL1NAMPTCCR2KMT2A
SCHEMBL6096729 0.86 GRIN2B (0.60) GRIN2BNAMPTKMT2AKCNA5
SCHEMBL6095709 0.83 GRIN2B (0.44) GRIN2BNAMPTCCR2KMT2AFAAH
SCHEMBL5965916 0.81 GRIN2B (0.39) GRIN2BABL1KITNAMPTCCR2
SCHEMBL6093683 0.80 GRIN2B (0.42) GRIN2BABL1NAMPTCCR2FAAH
SCHEMBL5965935 0.78 GRIN2B (0.38) GRIN2BABL1KITNAMPTCCR2
SCHEMBL6095730 0.78 CHRNA7 (0.41) GRIN2B
SCHEMBL6093377 0.78 KCNH2 (0.43) GRIN2B
SCHEMBL7098157 0.78 KCNH2 (0.43) GRIN2B

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 921/4885ABL1 4608/4885KIT 4601/4885

“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.