SCHEMBL229664

SCHEMBL229664

COc1ccc(C(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)OC(c2cccc(F)c2)c2cccc(F)c2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.39
CHRM2 P08172 4/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
CHRM1 P11229 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL229665 1.00 CHRM3 (0.39) CHRM3CHRM2ALDH1A1LMNAGAA
SCHEMBL229337 0.92 CHRM3 (0.40) CHRM3CHRM2LMNACHRM1KMT2A
SCHEMBL229338 0.92 CHRM3 (0.40) CHRM3CHRM2LMNACHRM1KMT2A
SCHEMBL230360 0.91 PGR (0.43) CHRM3CHRM2ALDH1A1LMNACHRM1
SCHEMBL230361 0.91 PGR (0.43) CHRM3CHRM2ALDH1A1LMNACHRM1
SCHEMBL231411 0.90 CHRM3 (0.44) CHRM3CHRM2CHRM1KMT2ANPSR1
SCHEMBL231410 0.90 CHRM3 (0.44) CHRM3CHRM2CHRM1KMT2ANPSR1
SCHEMBL230902 0.87 CHRM3 (0.39) CHRM3CHRM2LMNACHRM1KMT2A
SCHEMBL230903 0.87 CHRM3 (0.39) CHRM3CHRM2LMNACHRM1KMT2A
SCHEMBL13563740 0.86 ALDH1A1 (0.38) ALDH1A1LMNAGAAKDM4EKMT2A

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 16 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
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 CHRM3 1/4885CHRM2 2/4885ALDH1A1 2885/4885
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM3 1/4885CHRM2 2/4885ALDH1A1 2885/4885
US-20110319444-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM3 1/4885CHRM2 2/4885ALDH1A1 2885/4885

“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.