SCHEMBL2830748

SCHEMBL2830748

C=CC[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)Cc1cccs1)C2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.60
CHRM2 P08172 16/20 0.60
CHRM1 P11229 16/20 0.60

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
SCHEMBL2818972 0.95 CHRM3 (0.55) CHRM3CHRM2CHRM1
Bromide SCHEMBL5172792 0.94 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL2828686 0.92 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL2830935 0.91 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL2830747 0.88 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL2832550 0.88 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL2816122 0.88 CHRM2 (0.77) CHRM3CHRM2CHRM1
Bromide SCHEMBL5494971 0.87 CHRM2 (0.77) CHRM3CHRM2CHRM1
SCHEMBL2816413 0.84 CHRM3 (0.79) CHRM3CHRM2CHRM1
Bromide SCHEMBL6080131 0.84 CHRM3 (0.79) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776879-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2010-08-17 US disclosed
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG 2008-01-24 US disclosed
US-7208501-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-24 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1345937-B1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-09-28 EP disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2004-12-30 US disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO disclosed
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 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 (5 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 2/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 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.