SCHEMBL21088018

SCHEMBL21088018

O=C(Nc1ccc(F)cc1C#CC1CCCCC1)O[C@H]1C[N@]2CC[C@H]1CC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.60
CHRM1 P11229 5/20 0.60
CHRM3 P20309 5/20 0.60
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CHRNA7 P36544 4/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
NTMT1 Q9BV86 1/20 0.42

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
SCHEMBL21087739 0.83 CHRM3 (0.69) CHRM2CHRM1CHRM3GAAATM
SCHEMBL21088423 0.78 CHRM2 (0.70) CHRM2CHRM1CHRM3GAAATM
SCHEMBL22484512 0.78 CHRM2 (0.70) CHRM2CHRM1CHRM3GAAATM
SCHEMBL13398667 0.78 CHRM2 (0.70) CHRM2CHRM1CHRM3GAAATM
SCHEMBL21052161 0.77 NPC1 (0.44) GAAALDH1A1NPC1RAB9A
SCHEMBL13398649 0.76 CHRM2 (0.67) CHRM2CHRM1CHRM3GAAATM
SCHEMBL13398950 0.75 CHRM3 (1.00) CHRM2CHRM1CHRM3GAAATM
SCHEMBL22484503 0.75 CHRM3 (1.00) CHRM2CHRM1CHRM3GAAATM
SCHEMBL7367520 0.74 CHRNA7 (0.76) CHRM2CHRM1CHRM3GAAATM
SCHEMBL13399297 0.74 CHRM2 (0.86) CHRM2CHRM1CHRM3GAAATM

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 CHRM2 1/4885CHRM1 4/4885CHRM3 2/4885

“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.