SCHEMBL21028037

SCHEMBL21028037

COc1ccc(CNc2ncnc3c2sc2nc(C)c(Cl)c(C)c23)cc1F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 19/20 0.70
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL19741405 0.92 CHRM4 (0.67) CHRM4CYP3A4CYP2C9
SCHEMBL30187957 0.92 CHRM4 (0.67) CHRM4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL19741448 0.91 CHRM4 (0.66) CHRM4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL30193487 0.91 CHRM4 (0.66) CHRM4CYP3A4CYP2C9
SCHEMBL30187319 0.86 CHRM4 (0.54) CHRM4
SCHEMBL19741087 0.86 CHRM4 (0.54) CHRM4
SCHEMBL30187292 0.86 CHRM4 (0.56) CHRM4
SCHEMBL19741261 0.86 CHRM4 (0.56) CHRM4
SCHEMBL21048225 0.86 CHRM4 (0.54) CHRM4
SCHEMBL19741056 0.84 CHRM4 (0.75) CHRM4CYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-01-19 US disclosed
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-10-12 US disclosed
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-05-30 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 (3 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-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CHRM4 1/4885CYP3A4 981/4885CYP2C9 2683/4885
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 CHRM4 1/4885CYP3A4 981/4885CYP2C9 2683/4885
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CHRM4 1/4885CYP3A4 981/4885CYP2C9 2683/4885

“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.