SCHEMBL21088428

SCHEMBL21088428

O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 1.00
CHRM2 P08172 14/20 1.00
CHRM1 P11229 14/20 1.00

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
SCHEMBL16438650 0.94 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21088420 0.93 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21087775 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21087779 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21088013 0.89 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21088438 0.88 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL22484272 0.88 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21087782 0.86 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21087743 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL21052153 0.85 CHRM3 (0.76) 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 2 patents. 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
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 WO 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.