SCHEMBL7248205

SCHEMBL7248205

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
CCR3 P51677 2/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CCR5 P51681 2/20 0.35
HTR2A P28223 1/20 0.35
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1H O95180 1/20 0.34
CCR1 P32246 1/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 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
SCHEMBL7242528 0.89 OPRK1 (0.40) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7242815 0.88 CCR3 (0.41) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7252505 0.87 CYP2D6 (0.41) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7251849 0.87 HRH3 (0.38) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7244989 0.87 CYP2D6 (0.40) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7245444 0.86 CCR3 (0.41) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7250259 0.86 HRH3 (0.42) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7248557 0.84 MGLL (0.41) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7248701 0.84 HRH3 (0.41) CYP2D6OPRK1MEN1CCR3HRH3
SCHEMBL7250778 0.84 KCNA5 (0.45) CYP2D6MEN1CCR3HRH3CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 CYP2D6 69/4885OPRK1 3005/4885MEN1 1813/4885

“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.