SCHEMBL6097322

SCHEMBL6097322

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(C(=O)Nc4ccc(F)c(F)c4)CC3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.41
NAMPT P43490 3/20 0.40
EPHX2 P34913 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
MCHR1 Q99705 1/20 0.38
STS P08842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR2 P41597 1/20 0.37
IDO1 P14902 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
SCHEMBL5965679 0.88 CCR2 (0.40) GRIN2BNAMPTEPHX2POLBGAA
SCHEMBL6094116 0.87 GRIN2B (0.44) GRIN2BNAMPTEPHX2CCR2IDO1
SCHEMBL6094104 0.84 GRIN2B (0.58) GRIN2BNAMPTALDH1A1
SCHEMBL6095299 0.83 EPHX2 (0.42) GRIN2BNAMPTEPHX2DRD2DRD3
SCHEMBL7246148 0.83 MCHR1 (0.40) POLBMCHR1
SCHEMBL6096184 0.82 GRIN2B (0.47) GRIN2BNAMPTEPHX2ALDH1A1
SCHEMBL6095508 0.80 HRH2 (0.41) EPHX2DRD2DRD3
SCHEMBL6095400 0.79 HTR7 (0.42) EPHX2ALDH1A1
SCHEMBL6093925 0.79 HRH2 (0.41) NAMPTEPHX2ALDH1A1
SCHEMBL6093832 0.79 HRH2 (0.41) NAMPTEPHX2

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 921/4885NAMPT 4292/4885EPHX2 3084/4885

“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.