SCHEMBL13598451

SCHEMBL13598451

CB(O)N1CCC(CCN2C(=O)CCc3c(CC4SC(=O)NC4=O)cccc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 15/20 0.35
▸ CHRM2 P08172 12/20 0.35
▸ CHRM4 P08173 12/20 0.35
▸ CHRM5 P08912 12/20 0.35
▸ CHRM3 P20309 12/20 0.35
▸ DRD2 P14416 9/20 0.35
▸ DRD4 P21917 8/20 0.35
▸ DRD3 P35462 8/20 0.35
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL97366 0.86 NMT1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13602468 0.83 GPR119 (0.39) —
SCHEMBL99956 0.83 CYP11B1 (0.35) CYP11B1
SCHEMBL13598463 0.81 GRIN2B (0.41) CHRM1KCNH2ALDH1A1NPSR1
SCHEMBL97390 0.79 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL95362 0.76 DRD2 (0.36) CHRM1DRD2DRD4DRD3KCNH2
SCHEMBL96366 0.74 HRH3 (0.46) CA2HRH3ALDH1A1
SCHEMBL94951 0.73 HRH3 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13598449 0.72 FFAR1 (0.44) CHRM1CHRM5CHRM3CA2HRH3
SCHEMBL13598450 0.70 PPARG (0.41) KCNH2CA2

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-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CHRM1 2682/4885CHRM2 3353/4885CHRM4 3803/4885

“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.

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