SCHEMBL7250550

SCHEMBL7250550

COc1ccc(S(=O)(=O)N(C)C2C3CCC2CN(CCCS(=O)(=O)c2ccc(C#N)cc2)C3)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRPF1 P55201 1/20 0.37
HCRTR1 O43613 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ACLY P53396 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
SCHEMBL7250864 0.87 HRH3 (0.38) HCRTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7251579 0.86 ADRA1A (0.42) HCRTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7244092 0.82 KCNJ1 (0.41) HRH3KMT2A
SCHEMBL7245395 0.81 KCNH2 (0.46) HCRTR2TRPV4MEN1KMT2APOLB
SCHEMBL7243888 0.77 HTR7 (0.40) HRH3MEN1
SCHEMBL7248462 0.77 HRH3 (0.39) HRH3
SCHEMBL5965565 0.77 GPBAR1 (0.42) MEN1KMT2APOLB
SCHEMBL7243646 0.76 HRH3 (0.38) HRH3MEN1
SCHEMBL7244738 0.75 HTR7 (0.41) HRH3
SCHEMBL7249954 0.75 HRH2 (0.39) HCRTR2HRH3POLB

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 HCRTR2 780/4885PDE4A 2028/4885PDE4B 1895/4885

“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.