SCHEMBL6095299

SCHEMBL6095299

N#Cc1ccc(S(=O)(=O)CCCN2CC3CN(C(=O)Nc4ccc(SC(F)(F)F)cc4)CC3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
GRIN2B Q13224 4/20 0.40
NAMPT P43490 3/20 0.39
CCR2 P41597 1/20 0.37
ABL1 P00519 2/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
FAAH O00519 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KDM1A O60341 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
SCHEMBL6093683 0.88 GRIN2B (0.42) GRIN2BNAMPTCCR2ABL1DRD2
SCHEMBL6097322 0.83 GRIN2B (0.41) EPHX2GRIN2BNAMPTCCR2DRD2
SCHEMBL6094074 0.83 KCNA5 (0.47) GRIN2BNAMPTCCR2ABL1
SCHEMBL6094104 0.83 GRIN2B (0.58) GRIN2BNAMPT
SCHEMBL6095508 0.78 HRH2 (0.41) EPHX2DRD2DRD3FAAH
SCHEMBL6094937 0.78 GRIN2B (0.45) GRIN2BNAMPTCCR2ABL1
SCHEMBL6095439 0.77 GRIN2B (0.40) GRIN2BNAMPTABL1
SCHEMBL6095400 0.77 HTR7 (0.42) EPHX2
SCHEMBL6092565 0.77 GRIN2B (0.45) GRIN2BNAMPTCCR2ABL1FAAH
SCHEMBL6093925 0.77 HRH2 (0.41) EPHX2NAMPT

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 EPHX2 3084/4885GRIN2B 921/4885NAMPT 4292/4885

“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.