SCHEMBL5003530

SCHEMBL5003530

O=C(NC(c1cccs1)c1ccccc1F)OC1CN2CCC1CC2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.59
CHRNA7 P36544 3/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CHRM2 P08172 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR3A P46098 1/20 0.46
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL2829256 0.89 CHRM3 (0.67) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL5007050 0.83 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL5011222 0.83 CHRM3 (0.61) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL5003450 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL5007077 0.78 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL5007141 0.77 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL5007005 0.77 CHRM3 (0.66) CHRM3CHRM2CHRM1
SCHEMBL5005990 0.76 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL12001781 0.75 CHRM3 (1.00) CHRM3CHRNA7BCHEACHE
SCHEMBL15760716 0.74 CHRNA7 (0.50) CHRM3CHRNA7BCHEACHECHRM2

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
EP-1461336-B1 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2013-05-22 EP disclosed
US-7452904-B2 1-alkyl-1-azoniabicyclo' 2.2.2 octane carbamate derivatives and their use as muscarinic receptor antagonists CHIESI FARMACEUTICI S.P.A. (IT) 2008-11-18 US disclosed
US-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists LABORATORIOS S.A.L.V.A.T. (ES) 2005-02-24 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-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 CHRM3 2/4885CHRNA7 83/4885BCHE 378/4885

“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.