SCHEMBL7250864

SCHEMBL7250864

COc1ccc(S(=O)(=O)N(C)C2C3CCC2CN(CCCNc2ccc(C#N)cc2)C3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
CCR6 P51684 1/20 0.37
POLB P06746 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRPF1 P55201 1/20 0.35
DRD3 P35462 1/20 0.35
PTGER1 P34995 1/20 0.35
ACLY P53396 1/20 0.35
ABCB1 P08183 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL7250550 0.87 HCRTR2 (0.40) HRH3POLBHCRTR2PDE4APDE4B
SCHEMBL7251579 0.84 ADRA1A (0.42) HRH3CCR6HCRTR2PDE4APDE4B
SCHEMBL7251221 0.83 L3MBTL1 (0.47) MEN1KMT2ADRD3L3MBTL1
SCHEMBL7249963 0.83 MAPT (0.40) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7244532 0.81 KMT2A (0.45) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7250044 0.81 HRH3 (0.44) HRH3MEN1KMT2ADRD3
SCHEMBL7245395 0.79 KCNH2 (0.46) POLBHCRTR2KDM4EALDH1A1MEN1
SCHEMBL5965477 0.78 CCR6 (0.43) CCR6POLBALDH1A1PDE4APDE4B
SCHEMBL7250722 0.78 MCHR1 (0.42) HRH3KMT2ADRD3DPP4
SCHEMBL7244084 0.78 HRH3 (0.43) HRH3MEN1KMT2ADRD3

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 HRH3 742/4885CCR6 2855/4885POLB 916/4885

“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.