SCHEMBL7250411

SCHEMBL7250411

CN(C(=O)O)C1C2CCC1CN(CCCC(Oc1ccc(OC3CCCCO3)cc1)c1ccc(C#N)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.43
HRH3 Q9Y5N1 9/20 0.43
MEN1 O00255 6/20 0.35
SLC6A2 P23975 2/20 0.34
CCR5 P51681 1/20 0.34
KMT2A Q03164 2/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CACNA1F O60840 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD2 P14416 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 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
SCHEMBL7245226 0.91 HRH3 (0.41) SLC6A4HRH3MEN1SLC6A2CCR5
SCHEMBL6977224 0.82 HRH3 (0.40) SLC6A4HRH3MEN1SLC6A2KMT2A
SCHEMBL7248290 0.81 HRH3 (0.43) SLC6A4HRH3MEN1SLC6A2CCR5
SCHEMBL5965958 0.79 HRH3 (0.37) SLC6A4HRH3MEN1SLC6A2KMT2A
SCHEMBL5965706 0.79 HRH3 (0.40) SLC6A4HRH3MEN1KMT2AHRH2
SCHEMBL5965411 0.78 HRH3 (0.40) SLC6A4HRH3MEN1KMT2AHRH2
SCHEMBL6987525 0.77 HRH3 (0.37) SLC6A4HRH3MEN1KMT2AGRIN1
SCHEMBL7093343 0.77 HRH3 (0.41) SLC6A4HRH3MEN1KMT2AGRIN1
SCHEMBL5965701 0.76 GPR119 (0.42) SLC6A4HRH3MEN1KMT2A
SCHEMBL7243589 0.74 HRH3 (0.42) SLC6A4HRH3SLC6A2CCR5HRH2

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 SLC6A4 4858/4885HRH3 742/4885MEN1 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.