SCHEMBL228830

SCHEMBL228830

C[N+]12CCC(CC1)[C@@H](OC(=O)OC1c3ccccc3-c3ccccc31)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.54
CHRM3 P20309 9/20 0.54
CHRM1 P11229 8/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
RGS12 O14924 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41

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
SCHEMBL228831 1.00 CHRM2 (0.54) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL231024 0.80 CHRM3 (0.58) CHRM2CHRM3CHRM1
SCHEMBL231023 0.80 CHRM3 (0.58) CHRM2CHRM3CHRM1
SCHEMBL231049 0.78 CHRM3 (0.66) CHRM2CHRM3CHRM1
SCHEMBL231048 0.78 CHRM3 (0.66) CHRM2CHRM3CHRM1
SCHEMBL231001 0.78 CHRM2 (0.56) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL231000 0.78 CHRM2 (0.56) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL10256911 0.77 CHRM2 (0.64) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL228935 0.76 CHRM3 (0.67) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL228936 0.76 CHRM3 (0.67) CHRM2CHRM3CHRM1CHRM4CHRM5

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440690-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-14 US disclosed
US-8440690-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-14 US disclosed
US-8404712-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-26 US disclosed
US-8404712-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-26 US disclosed
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-01-05 US disclosed
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-01-05 US disclosed
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 US disclosed
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 US disclosed
US-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
US-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
EP-2313404-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2011-04-27 EP disclosed
EP-2154136-A1 Quinuclidine carbonate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.p.A. (IT) 2010-02-17 EP disclosed
EP-2154136-A1 Quinuclidine carbonate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.p.A. (IT) 2010-02-17 EP disclosed
WO-2010015324-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 WO disclosed
WO-2010015324-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 WO disclosed
US-20100035922-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 US disclosed
US-20100035922-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-11 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 (3 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-20100035922-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM2 2/4885CHRM3 1/4885CHRM1 4/4885
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM2 2/4885CHRM3 1/4885CHRM1 4/4885
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM2 2/4885CHRM3 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.