SCHEMBL4083767

SCHEMBL4083767

O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 1.00
CHRM3 P20309 16/20 1.00
CHRM2 P08172 15/20 1.00
CHRNA7 P36544 2/20 0.64
BCHE P06276 1/20 0.64
ACHE P22303 1/20 0.64
CHRM4 P08173 4/20 0.60
CHRM5 P08912 4/20 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
SCHEMBL6229559 0.89 CHRM2 (0.80) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL12614577 0.84 CHRM2 (0.72) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL15777092 0.83 CHRM2 (0.69) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL17320530 0.83 CHRM2 (0.82) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL4084016 0.83 CHRM2 (0.82) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL17320531 0.83 CHRM2 (0.82) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL1924243 0.82 CHRM2 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL12614731 0.82 CHRM3 (0.69) CHRM1CHRM3CHRM2CHRNA7BCHE
SCHEMBL1926099 0.82 CHRM2 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2828617 0.82 CHRM2 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US claimed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US claimed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US claimed
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-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 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 (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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885CHRM2 2/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885CHRM2 2/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 CHRM1 3/4885CHRM3 1/4885CHRM2 2/4885

“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.