SCHEMBL30457598

SCHEMBL30457598

Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 14/20 0.55
NAMPT P43490 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GBA1 P04062 1/20 0.39
IKBKB O14920 2/20 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
SCHEMBL25233922 1.00 CHRM5 (0.55) CHRM5NAMPTRAB9ANPC1KDM4E
SCHEMBL30457331 0.84 CHRM5 (0.54) CHRM5GBA1IKBKB
SCHEMBL30457129 0.84 CHRM5 (0.56) CHRM5NAMPTRAB9ANPC1GBA1
SCHEMBL25281374 0.84 CHRM5 (0.56) CHRM5NAMPTRAB9ANPC1GBA1
SCHEMBL25275612 0.84 CHRM5 (0.54) CHRM5GBA1IKBKB
SCHEMBL25276305 0.82 CHRM5 (0.67) CHRM5KDM4EMAPTGBA1
SCHEMBL30457003 0.82 CHRM5 (0.67) CHRM5KDM4EMAPTGBA1
SCHEMBL25281252 0.79 CHRM5 (0.58) CHRM5KDM4EMAPT
SCHEMBL25230313 0.79 CHRM5 (0.54) CHRM5GBA1
SCHEMBL30457161 0.79 CHRM5 (0.54) CHRM5GBA1

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 1/4885NAMPT 2139/4885RAB9A 1907/4885

“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.