SCHEMBL30456653

SCHEMBL30456653

Cc1cc2ncnn2cc1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 16/20 1.00
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
PKM P14618 2/20 0.51
NPC1 O15118 1/20 0.51
PKLR P30613 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL25233970 1.00 CHRM5 (1.00) CHRM5CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL25275480 0.90 CHRM5 (1.00) CHRM5CYP3A4CYP2D6
SCHEMBL25234017 0.89 CHRM5 (0.80) CHRM5CYP3A4CYP2D6PKMNPC1
SCHEMBL25231579 0.88 CHRM5 (1.00) CHRM5CYP3A4CYP2D6KCNH2
SCHEMBL30456359 0.86 CHRM5 (0.75) CHRM5CYP3A4CYP2D6KCNH2
SCHEMBL25281579 0.86 CHRM5 (0.75) CHRM5CYP3A4CYP2D6KCNH2
SCHEMBL25227463 0.84 CHRM5 (0.90) CHRM5CYP3A4CYP2D6
SCHEMBL30456555 0.84 CHRM5 (0.78) CHRM5CYP3A4CYP2D6KCNH2
SCHEMBL25279556 0.84 CHRM5 (0.73) CHRM5CYP3A4CYP2D6KCNH2
SCHEMBL25279427 0.83 CHRM5 (1.00) CHRM5CYP3A4CYP2D6KCNH2

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.