SCHEMBL30456599

SCHEMBL30456599

[2H]C([2H])([2H])OCc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C)CC2)cnn1C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 20/20 0.71
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CHRM1 P11229 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL25723757 0.94 CHRM5 (0.75) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL30456479 0.91 CHRM5 (0.70) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25232315 0.87 CHRM5 (0.77) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25723758 0.86 CHRM5 (0.73) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL30456902 0.85 CHRM5 (0.75) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25233803 0.85 CHRM5 (0.75) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25276193 0.83 CHRM5 (1.00) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL30456734 0.83 CHRM5 (0.87) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25230590 0.82 CHRM5 (0.70) CHRM5CYP3A4CYP2D6CHRM1CYP2C9
SCHEMBL25423103 0.82 CHRM5 (0.79) CHRM5CYP3A4CYP2D6CHRM1CYP2C9

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 CHRM5 1/4885CYP3A4 520/4885CYP2D6 603/4885

“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.