SCHEMBL6738560

SCHEMBL6738560

COc1ccc(OC(CCCN2CC3CNCC(C3)C2)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
SLC6A4 P31645 4/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
SLC6A2 P23975 1/20 0.35
DRD3 P35462 1/20 0.35
MCHR1 Q99705 1/20 0.35
AR P10275 1/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 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
SCHEMBL6094523 0.91 HRH3 (0.53) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL6990939 0.89 HRH3 (0.42) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL2968077 0.88 HRH3 (0.42) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL7028310 0.88 MCHR1 (0.43) HRH3SLC6A4MCHR1
SCHEMBL6991661 0.88 HRH3 (0.41) HRH3SLC6A4HRH2HRH1
SCHEMBL6740792 0.87 SLC6A4 (0.41) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL7030839 0.87 HRH3 (0.41) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL6996607 0.87 HRH3 (0.43) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL6739004 0.87 POLB (0.40) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL6993367 0.86 HRH3 (0.40) HRH3SLC6A4HRH2HRH1SLC6A2

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 WO disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D HRH3 300/4885SLC6A4 1428/4885HRH2 113/4885

“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.