SCHEMBL6094937

SCHEMBL6094937

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.45
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
ABL1 P00519 2/20 0.38
NAMPT P43490 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR2 P41597 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
SCHEMBL6092565 0.91 GRIN2B (0.45) GRIN2BKMT2AABL1NAMPTCCR2
SCHEMBL6094074 0.87 KCNA5 (0.47) GRIN2BKMT2AABL1NAMPTCCR2
SCHEMBL6093945 0.86 GRIN2B (0.61) GRIN2BKCNH2KDM4EALDH1A1KMT2A
SCHEMBL6095608 0.83 KCNH2 (0.45) GRIN2BKCNH2KDM4EALDH1A1KMT2A
SCHEMBL6739974 0.82 KCNH2 (0.49) GRIN2BKCNH2KDM4EALDH1A1KMT2A
SCHEMBL6093683 0.80 GRIN2B (0.42) GRIN2BABL1NAMPTCCR2
SCHEMBL5965935 0.79 GRIN2B (0.38) GRIN2BKMT2AABL1NAMPTCCR2
SCHEMBL6734803 0.78 GRIN2B (0.54) GRIN2BKCNH2KDM4EALDH1A1KMT2A
SCHEMBL6096564 0.78 KCNH2 (0.52) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6095860 0.78 KCNH2 (0.55) KCNH2KDM4EALDH1A1KMT2AMEN1

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 5 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
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO 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 921/4885KCNH2 2/4885KDM4E 3426/4885

“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.