SCHEMBL30457003

SCHEMBL30457003

Cc1cc2nccn2nc1C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 11/20 0.67
EPHX2 P34913 1/20 0.47
CHRM4 P08173 1/20 0.47
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM2B Q8NHM5 1/20 0.42
CHRM1 P11229 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL25276305 1.00 CHRM5 (0.67) CHRM5EPHX2CHRM4LMNAMEN1
SCHEMBL25282048 0.82 CHRM5 (0.65) CHRM5LMNAMAPTHTTKMT2A
SCHEMBL30457111 0.82 CHRM5 (0.65) CHRM5LMNAMAPTHTTKMT2A
SCHEMBL30457598 0.82 CHRM5 (0.55) CHRM5MAPTGBA1KDM4E
SCHEMBL25233922 0.82 CHRM5 (0.55) CHRM5MAPTGBA1KDM4E
SCHEMBL25238616 0.80 CHRM5 (1.00) CHRM5CHRM4
SCHEMBL30456581 0.80 CHRM5 (1.00) CHRM5CHRM4
SCHEMBL25281252 0.80 CHRM5 (0.58) CHRM5CHRM4LMNAMEN1ALDH1A1
SCHEMBL25231192 0.78 CHRM5 (0.58) CHRM5KDM4E
SCHEMBL25281764 0.78 CHRM5 (0.67) CHRM5CHRM1

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 1/4885EPHX2 1479/4885CHRM4 4/4885

“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.