SCHEMBL6741839

SCHEMBL6741839

CC(C)NC(=O)N1CC2CC(CN(CCCNc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CCR3 P51677 1/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
NAMPT P43490 3/20 0.36
CCR2 P41597 1/20 0.36
KDM1A O60341 5/20 0.35
PANK3 Q9H999 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EPHX2 P34913 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 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
SCHEMBL6092625 0.90 MEN1 (0.39) MEN1CCR3HRH2HRH1NAMPT
SCHEMBL6623202 0.86 CCR3 (0.42) MEN1CCR3HRH2HRH1NAMPT
SCHEMBL6741315 0.84 KCNJ1 (0.46) KDM1ATRPA1
SCHEMBL5965694 0.83 CCR2 (0.40) MEN1CCR3HRH2HRH1NAMPT
SCHEMBL6734011 0.82 NAMPT (0.37) MEN1CCR3HRH2HRH1NAMPT
SCHEMBL6621239 0.81 EPHX2 (0.43) HRH2HRH1EPHX2
SCHEMBL6989013 0.81 EPHX2 (0.45) MEN1CCR3HRH2HRH1KDM1A
SCHEMBL6986200 0.80 CCR3 (0.39) MEN1CCR3HRH2HRH1EPHX2
SCHEMBL6097649 0.80 HRH3 (0.39) MEN1CCR3HRH2HRH1HRH3
SCHEMBL7035035 0.79 MEN1 (0.39) MEN1CCR3HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D MEN1 2091/4885CCR3 3995/4885HRH2 113/4885

“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.