SCHEMBL2828617

SCHEMBL2828617

O=C(O[C@@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 1.00
CHRM1 P11229 20/20 1.00
CHRM3 P20309 20/20 1.00
CHRM5 P08912 3/20 0.68
CHRM4 P08173 2/20 0.68

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
SCHEMBL1924243 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL1926099 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM5CHRM4
Hydrochloric Acid SCHEMBL1925445 0.99 CHRM2 (0.98) CHRM2CHRM1CHRM3CHRM5CHRM4
Hydrochloric Acid SCHEMBL1926555 0.99 CHRM2 (0.98) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856614 0.92 CHRM3 (0.85) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856658 0.92 CHRM2 (0.85) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2830097 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL5007157 0.92 CHRM1 (0.92) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL5007161 0.92 CHRM1 (0.92) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2829514 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM5CHRM4

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 15 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-7312231-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-12-25 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
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists LABORATORIOS ALMIRALL S.A. (ES) 2004-12-02 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 (6 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 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 CHRM2 3/4885CHRM1 2/4885CHRM3 1/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 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.