SCHEMBL7251849

SCHEMBL7251849

CC(C)NC(=O)CN(C)C1C2CCC1CN(CCCNc1ccc(C#N)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
CCR3 P51677 1/20 0.37
PAX8 Q06710 1/20 0.35
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.33
CCR5 P51681 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL7248205 0.87 CYP2D6 (0.39) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7244697 0.85 HRH3 (0.39) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7245472 0.85 KDM1A (0.37) HRH3HRH2HRH1KDM1A
SCHEMBL6097649 0.84 HRH3 (0.39) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7249141 0.83 KCNA5 (0.44) HRH3HRH2HRH1KCNH2
SCHEMBL7242528 0.83 OPRK1 (0.40) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7252505 0.82 CYP2D6 (0.41) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7244989 0.81 CYP2D6 (0.40) HRH3CYP2D6OPRK1MEN1CCR3
SCHEMBL7246408 0.81 HRH2 (0.41) HRH3HRH2HRH1DRD2DRD3
SCHEMBL7243503 0.81 HRH3 (0.42) HRH3CYP2D6OPRK1MEN1CCR3

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 742/4885CYP2D6 69/4885OPRK1 3005/4885

“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.