SCHEMBL7242528

SCHEMBL7242528

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
CYP2D6 P10635 1/20 0.40
CCR3 P51677 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
MEN1 O00255 1/20 0.38
CCR5 P51681 2/20 0.36
HRH2 P25021 5/20 0.36
HRH1 P35367 5/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
CACNA1F O60840 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1B P28222 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
SCHEMBL7252505 0.89 CYP2D6 (0.41) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7244989 0.89 CYP2D6 (0.40) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7248205 0.89 CYP2D6 (0.39) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7242815 0.87 CCR3 (0.41) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7245444 0.86 CCR3 (0.41) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7250259 0.86 HRH3 (0.42) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7248701 0.85 HRH3 (0.41) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7245194 0.85 HRH3 (0.39) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7248557 0.84 MGLL (0.41) OPRK1CYP2D6CCR3HRH3MEN1
SCHEMBL7243876 0.84 CCR3 (0.38) OPRK1CYP2D6CCR3HRH3MEN1

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 OPRK1 3005/4885CYP2D6 69/4885CCR3 2275/4885

“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.