SCHEMBL7250863

SCHEMBL7250863

CNC1C2CCC1CN(CCCC(Oc1ccc(O)cc1)c1ccc(C#N)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
SLC6A4 P31645 1/20 0.46
GRIN1 Q05586 4/20 0.45
GRIN2B Q13224 4/20 0.45
HRH2 P25021 12/20 0.42
HRH1 P35367 12/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7244049 0.85 HRH3 (0.42) HRH3SLC6A4HRH2HRH1
SCHEMBL7661257 0.82 HRH3 (0.42) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL7243589 0.81 HRH3 (0.42) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL7622894 0.80 SLC6A4 (0.42) HRH3SLC6A4GRIN1GRIN2B
SCHEMBL7248335 0.77 HRH3 (0.39) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL7618611 0.76 HRH3 (0.39) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL6984370 0.76 HRH3 (0.44) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL7250583 0.76 HRH3 (0.55) HRH3HRH2HRH1
SCHEMBL5965649 0.75 HRH3 (0.42) HRH3SLC6A4GRIN1GRIN2BHRH2
SCHEMBL5965461 0.75 HRH3 (0.42) HRH3SLC6A4GRIN1GRIN2BHRH2

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 4858/4885GRIN1 1644/4885

“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.