SCHEMBL7250259

SCHEMBL7250259

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CCR3 P51677 8/20 0.41
MGLL Q99685 2/20 0.40
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HTR2A P28223 4/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
TBXA2R P21731 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
SCHEMBL7248557 0.96 MGLL (0.41) HRH3CCR3MGLLCYP2D6OPRK1
SCHEMBL7242815 0.93 CCR3 (0.41) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7245444 0.89 CCR3 (0.41) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7248701 0.87 HRH3 (0.41) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7252505 0.86 CYP2D6 (0.41) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7251491 0.86 HRH2 (0.37) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7248205 0.86 CYP2D6 (0.39) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7242528 0.86 OPRK1 (0.40) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7245194 0.84 HRH3 (0.39) HRH3CCR3CYP2D6OPRK1MEN1
SCHEMBL7250778 0.83 KCNA5 (0.45) HRH3CCR3CYP2D6MEN1HRH2

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 742/4885CCR3 2275/4885MGLL 4827/4885

“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.