SCHEMBL7246185

SCHEMBL7246185

COc1ccc(NC(=O)N(C)C2C3CCC2CN(CCOc2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.59
GRIN2B Q13224 1/20 0.46
CCR6 P51684 1/20 0.42
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
HRH3 Q9Y5N1 3/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
DRD3 P35462 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL7250778 0.88 KCNA5 (0.45) KCNA5GRIN2BCCR6HRH2HRH1
SCHEMBL7243596 0.88 KCNA5 (0.45) KCNA5HRH2HRH1HRH3
SCHEMBL7242827 0.86 CCR6 (0.44) KCNA5GRIN2BCCR6HRH2HRH1
SCHEMBL7257279 0.86 KCNA5 (0.44) KCNA5GRIN2BCCR6JAK2JAK3
SCHEMBL7250880 0.85 HRH2 (0.46) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7245961 0.84 HRH2 (0.45) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7252155 0.83 KCNA5 (0.48) KCNA5HRH2HRH1HRH3
SCHEMBL7243245 0.83 HRH2 (0.44) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7622894 0.82 SLC6A4 (0.42) KCNA5GRIN2BCCR6HRH3JAK2
SCHEMBL6094526 0.82 GRIN2B (0.64) KCNA5GRIN2BDRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 KCNA5 60/4885GRIN2B 1215/4885CCR6 2855/4885

“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.