SCHEMBL7245376

SCHEMBL7245376

COc1ccc(OC(CCCN(C)C2C3CCC2CN(Cc2ccccc2)C3)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
SLC6A4 P31645 2/20 0.40
DRD2 P14416 6/20 0.38
DRD3 P35462 5/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL7250046 0.88 MCHR1 (0.43) HRH3SLC6A4SIGMAR1
SCHEMBL7242841 0.85 SLC6A4 (0.39) HRH3SLC6A4KDM4E
SCHEMBL7242632 0.84 SLC6A4 (0.40) HRH3SLC6A4
SCHEMBL7245539 0.84 SLC6A4 (0.43) HRH3SLC6A4KDM4EL3MBTL1LMNA
SCHEMBL5965698 0.82 HRH3 (0.41) HRH3SLC6A4DRD2DRD3KDM4E
SCHEMBL7244465 0.82 HRH3 (0.37) HRH3SLC6A4
SCHEMBL7246406 0.81 HRH3 (0.37) HRH3SLC6A4LMNA
SCHEMBL7242668 0.81 POLB (0.40) HRH3SLC6A4KDM4E
SCHEMBL7248290 0.80 HRH3 (0.43) HRH3SLC6A4DRD2DRD3DRD4
SCHEMBL7250836 0.79 MGLL (0.39) HRH3SLC6A4DRD3

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 742/4885SLC6A4 4858/4885DRD2 1770/4885

“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.