SCHEMBL6740792

SCHEMBL6740792

COc1ccc(OC(CCCN2CC3CC(C2)CN(C(=O)O)C3)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MAPT P10636 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
NOS2 P35228 1/20 0.36
DRD3 P35462 2/20 0.36
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
HTR1A P08908 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
CACNA1F O60840 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 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
SCHEMBL6093345 0.91 HRH3 (0.42) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL6992027 0.90 HRH3 (0.39) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL6739004 0.89 POLB (0.40) SLC6A4HRH3MAPTCYP2D6DRD3
SCHEMBL6733555 0.89 PDE4B (0.39) SLC6A4HRH3MAPT
SCHEMBL6997329 0.89 SLC6A4 (0.39) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL2966856 0.89 SLC6A4 (0.40) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL6993367 0.89 HRH3 (0.40) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL6990939 0.89 HRH3 (0.42) SLC6A4HRH3MAPTPPARDPPARA
SCHEMBL7034803 0.88 HRH3 (0.42) SLC6A4HRH3MAPTDRD3ADRA1D
SCHEMBL6995417 0.87 SLC6A4 (0.39) SLC6A4HRH3MAPTPPARDPPARA

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 3 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
EP-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed
US-6465481-B1 EXHIBIT ELECTROPHYSIOLOGICAL ACTIVITY; MAY BE MORE POTENT AND PRODUCE FEWER SIDE EFFECTS INCLUDING LOWER INCIDENCE OF PROARRHYTHMIAS SUCH AS TORSADES DE POINTES ASTRAZENECA AB (SE) 2002-10-15 US 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 SLC6A4 1428/4885HRH3 300/4885MAPT 4305/4885

“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.