SCHEMBL5006311

SCHEMBL5006311

O=C(NC(c1cccc(F)c1)c1cccs1)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.64
CHRM2 P08172 17/20 0.64
CHRM1 P11229 16/20 0.64
CHRM4 P08173 2/20 0.55
CHRM5 P08912 2/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2C P18825 2/20 0.55
TACR1 P25103 2/20 0.55
ADRA1A P35348 2/20 0.55
HRH1 P35367 2/20 0.55
OPRK1 P41145 2/20 0.55
KCNH2 Q12809 2/20 0.55

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
SCHEMBL5007158 0.91 CHRM3 (0.53) CHRM3CHRM2CHRM1
SCHEMBL2816273 0.89 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5490833 0.88 CHRM3 (0.65) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5006104 0.88 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5007005 0.87 CHRM3 (0.66) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5005974 0.85 CHRM3 (0.44) CHRM3CHRM2CHRM1
SCHEMBL5006267 0.84 CHRM3 (0.44) CHRM3CHRM2CHRM1
SCHEMBL5007077 0.84 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5006038 0.83 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL71845 0.79 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5

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 5 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
EP-1461336-A2 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-09-29 EP disclosed
WO-2003053966-A2 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-07-03 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-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 CHRM3 2/4885CHRM2 1/4885CHRM1 3/4885

“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.