SCHEMBL30457331

SCHEMBL30457331

Cc1cc2nccn2cc1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 18/20 0.54
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GBA1 P04062 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL25275612 1.00 CHRM5 (0.54) CHRM5CYP3A4CYP2D6GBA1IKBKB
SCHEMBL25233922 0.84 CHRM5 (0.55) CHRM5GBA1IKBKB
SCHEMBL30457598 0.84 CHRM5 (0.55) CHRM5GBA1IKBKB
SCHEMBL30457161 0.84 CHRM5 (0.54) CHRM5CYP3A4CYP2D6GBA1
SCHEMBL25230313 0.84 CHRM5 (0.54) CHRM5CYP3A4CYP2D6GBA1
SCHEMBL25227448 0.81 CHRM5 (0.57) CHRM5CYP3A4CYP2D6
SCHEMBL30456448 0.81 CHRM5 (0.57) CHRM5CYP3A4CYP2D6
SCHEMBL25231206 0.79 CHRM5 (0.53) CHRM5CYP3A4CYP2D6
SCHEMBL25279334 0.78 CHRM5 (0.73) CHRM5CYP3A4
SCHEMBL25236909 0.77 CHRM5 (0.50) CHRM5GBA1IKBKB

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.