SCHEMBL25239199

SCHEMBL25239199

O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
CHRM5 P08912 16/20 0.49
CHRM1 P11229 8/20 0.49
USP30 Q70CQ3 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL25231573 0.78 CHRM5 (0.49) ALDH1A1MAPTCHRM5USP30KDM4E
SCHEMBL25281851 0.72 TP53 (0.58) CHRM5CHRM1
SCHEMBL25281885 0.72 CHRM5 (0.51) ALDH1A1MAPTCHRM5CHRM1
SCHEMBL5800228 0.71 CHRM5 (0.59) ALDH1A1MAPTCHRM5CHRM1MEN1
SCHEMBL16307414 0.71 CHRM5 (0.58) MAPTCHRM5CHRM1HTT
SCHEMBL25281829 0.71 CHRM5 (0.51) ALDH1A1MAPTCHRM5CHRM1
SCHEMBL25234030 0.70 CHRM5 (0.55) ALDH1A1MAPTCHRM5CHRM1KDM4E
SCHEMBL30456888 0.70 KMT2A (0.64) ALDH1A1MAPTCHRM5CHRM1MEN1
SCHEMBL25232120 0.70 KMT2A (0.64) ALDH1A1MAPTCHRM5CHRM1MEN1
SCHEMBL25275489 0.70 CHRM5 (0.54) ALDH1A1MAPTCHRM5CHRM1KDM4E

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 2 patents. 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
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 ALDH1A1 622/4885MAPT 2286/4885CHRM5 1/4885

“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.