SCHEMBL7246408

SCHEMBL7246408

COc1ccc(C(=O)CN(C)C2C3CCC2CN(CCCNc2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.41
HRH1 P35367 7/20 0.41
KCNA5 P22460 1/20 0.40
CCR6 P51684 1/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN1 Q05586 1/20 0.39
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
VNN1 O95497 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7248394 0.85 HRH2 (0.43) HRH2HRH1CCR6GRIN2BGRIN1
SCHEMBL7250778 0.84 KCNA5 (0.45) HRH2HRH1KCNA5CCR6GRIN2B
SCHEMBL7245234 0.84 ALDH1A1 (0.43) DRD2DRD3VNN1USP2SMN1; SMN2
SCHEMBL7244697 0.82 HRH3 (0.39) HRH2HRH1DRD2DRD3HRH3
SCHEMBL7251849 0.81 HRH3 (0.38) HRH2HRH1DRD2DRD3HRH3
SCHEMBL7249987 0.80 L3MBTL1 (0.47) SMN1; SMN2
SCHEMBL7646331 0.80 KCNA5 (0.40) HRH2HRH1KCNA5CCR6GRIN2B
SCHEMBL2968141 0.79 GRIN2B (0.45) HRH2HRH1KCNA5GRIN2BGRIN1
SCHEMBL7252505 0.79 CYP2D6 (0.41) HRH2HRH1DRD2DRD3HRH3
SCHEMBL7243503 0.78 HRH3 (0.42) HRH2HRH1HRH3

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 HRH2 321/4885HRH1 367/4885KCNA5 60/4885

“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.