SCHEMBL5007002

SCHEMBL5007002

O=C(Nc1ccccc1Cc1ccc(Br)s1)OC1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ATM Q13315 1/20 0.58
CHRM2 P08172 2/20 0.57
CHRM1 P11229 2/20 0.57
CHRM3 P20309 2/20 0.57
CHRNA7 P36544 4/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5006005 0.88 GAA (0.58) GAAATMCHRM2CHRM1CHRM3
SCHEMBL5009379 0.88 GAA (0.64) GAAATMCHRM2CHRM1CHRM3
SCHEMBL5003333 0.88 GAA (0.58) GAAATMCHRM2CHRM1CHRM3
SCHEMBL5011132 0.86 GAA (0.58) GAAATMCHRM2CHRM1CHRM3
SCHEMBL7066702 0.82 CHRM3 (0.68) GAAATMCHRM2CHRM1CHRM3
Bromide SCHEMBL9050852 0.81 CHRM3 (0.67) GAAATMCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5003293 0.81 CHRM3 (0.67) GAAATMCHRM2CHRM1CHRM3
SCHEMBL4084020 0.81 GAA (0.70) GAAATMCHRM2CHRM1CHRM3
SCHEMBL5007294 0.81 CHRM3 (0.37) GAAATMCHRM2CHRM1CHRM3
SCHEMBL5007163 0.79 GAA (0.61) GAAATMCHRM2CHRM1CHRM3

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 GAA 4508/4885ATM 2028/4885CHRM2 1/4885

“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.