SCHEMBL6741315

SCHEMBL6741315

CC(C)NC(=O)N1CC2CC(CN(CCc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.46
KCNH2 Q12809 3/20 0.46
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL6741203 0.85 KCNJ1 (0.47) KCNJ1KCNH2DRD2DRD3CHRNA7
SCHEMBL6741839 0.84 MEN1 (0.38) KDM1ATRPA1
SCHEMBL7948923 0.83 KCNH2 (0.52) KCNJ1KCNH2DRD2DRD3DPP4
SCHEMBL6999087 0.82 KCNH2 (0.67) KCNJ1KCNH2DRD2DRD3
SCHEMBL6736841 0.80 HTR1A (0.41) KCNJ1KCNH2DRD2DRD3CHRNA7
SCHEMBL6737941 0.79 KCNH2 (0.52) KCNH2ALDH1A1L3MBTL1
SCHEMBL6737171 0.79 KCNH2 (0.52) KCNH2ALDH1A1L3MBTL1
SCHEMBL6743201 0.78 NAMPT (0.44) KCNJ1KCNH2DRD2DRD3CHRNA7
SCHEMBL6743285 0.78 KCNH2 (0.43) KCNH2CHRNA7KDM1AALDH1A1
SCHEMBL6733588 0.77 SLC1A2 (0.44) KCNH2CHRNA7KDM1AALDH1A1

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 KCNJ1 167/4885KCNH2 13/4885DRD2 21/4885

“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.