SCHEMBL29303239

SCHEMBL29303239

CC(C)c1c(F)cc(-c2cccc3nn(C4COC4)cc23)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
CHRM1 P11229 11/20 0.36
ALDH1A2 O94788 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH1A3 P47895 1/20 0.35
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TLR9 Q9NR96 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL29304475 0.84 CHRM1 (0.36) KDM5ACHRM1ALDH1A2ALDH1A1ALDH1A3
SCHEMBL29303220 0.78 CHRM1 (0.50) CHRM1
SCHEMBL29303232 0.77 CHRM1 (0.38) CHRM1
SCHEMBL29303229 0.76 CHRM1 (0.37) CHRM1
SCHEMBL29304422 0.76 CHRM1 (0.37) CHRM1
SCHEMBL21536089 0.76 ALDH1A2 (0.39) KDM5AALDH1A2ALDH1A1ALDH1A3
SCHEMBL29304441 0.76 KDM5A (0.38) KDM5AALDH1A2ALDH1A1ALDH1A3TLR8
SCHEMBL29303234 0.75 CHRM1 (0.39) CHRM1
SCHEMBL29303231 0.75 CHRM1 (0.39) CHRM1
SCHEMBL29303304 0.72 CHRM1 (0.47) CHRM1

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 KDM5A 1716/4885CHRM1 1/4885ALDH1A2 4358/4885

“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.