SCHEMBL7033710

SCHEMBL7033710

COCCOCCN1CC2CC(CN(CCCS(=O)(=O)c3ccc(C#N)cc3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.38
HRH1 P35367 10/20 0.38
HRH3 Q9Y5N1 9/20 0.36
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 1/20 0.35
HTR7 P34969 1/20 0.34
MEN1 O00255 1/20 0.34
OGFRL1 Q5TC84 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
SCHEMBL6094059 0.91 HRH2 (0.42) HRH2HRH1HRH3KCNH2CYP19A1
SCHEMBL2958755 0.88 KCNH2 (0.42) HRH2HRH1HRH3KCNH2CYP19A1
SCHEMBL5965605 0.87 HRH2 (0.38) HRH2HRH1HRH3KCNH2HTR7
SCHEMBL7028285 0.83 CYP19A1 (0.38) HRH2HRH1HRH3KCNH2CYP19A1
SCHEMBL7035866 0.82 HRH3 (0.49) HRH2HRH1HRH3
SCHEMBL7243646 0.81 HRH3 (0.38) HRH2HRH1HRH3KCNH2CYP19A1
SCHEMBL6996965 0.80 SIGMAR1 (0.41) HRH2HRH1HRH3CYP19A1HTR7
SCHEMBL7028521 0.80 EGLN2 (0.40) HRH2HRH1HRH3MEN1
SCHEMBL6093675 0.79 HRH2 (0.40) HRH2HRH1HRH3
SCHEMBL6995882 0.78 DRD3 (0.52) HRH2HRH1

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E HRH2 229/4885HRH1 322/4885HRH3 402/4885

“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.