SCHEMBL22484516

SCHEMBL22484516

CC(C)(C)OC(=O)N1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(C#N)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.69
CHRM2 P08172 6/20 0.69
CHRM1 P11229 6/20 0.69

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
SCHEMBL22484520 0.93 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL21088421 0.90 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL21088012 0.90 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL22484295 0.90 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL21087727 0.89 CHRM3 (0.69) CHRM3CHRM2CHRM1
SCHEMBL21052207 0.88 CHRM3 (0.76) CHRM3CHRM2CHRM1
SCHEMBL21088430 0.87 CHRM3 (0.66) CHRM3CHRM2CHRM1
SCHEMBL21087780 0.86 CHRM3 (0.72) CHRM3CHRM2CHRM1
SCHEMBL19173318 0.86 GPR119 (0.58) CHRM3CHRM2CHRM1
SCHEMBL21087742 0.82 CHRM3 (0.67) CHRM3CHRM2CHRM1

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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 CHRM3 2/4885CHRM2 1/4885CHRM1 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.