SCHEMBL4084020

SCHEMBL4084020

CCc1ccccc1NC(=O)OC1CN2CCC1CC2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
ATM Q13315 1/20 0.70
CHRM3 P20309 3/20 0.69
CHRM2 P08172 2/20 0.69
CHRM1 P11229 2/20 0.69
CHRNA7 P36544 4/20 0.67
BCHE P06276 1/20 0.67
ACHE P22303 1/20 0.67
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPT P10636 1/20 0.56
CYP2D6 P10635 1/20 0.53

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
SCHEMBL12615348 0.91 CHRM3 (0.73) GAAATMCHRM3CHRM2CHRM1
SCHEMBL5006005 0.88 GAA (0.58) GAAATMCHRM3CHRM2CHRM1
SCHEMBL7066702 0.87 CHRM3 (0.68) GAAATMCHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL5003293 0.86 CHRM3 (0.67) GAAATMCHRM3CHRM2CHRM1
Bromide SCHEMBL9050852 0.86 CHRM3 (0.67) GAAATMCHRM3CHRM2CHRM1
SCHEMBL5006974 0.85 GAA (0.64) GAAATMCHRM3CHRM2CHRM1
SCHEMBL12604472 0.85 GAA (0.73) GAAATMCHRM3CHRM2CHRM1
SCHEMBL14027688 0.85 GAA (0.66) GAAATMCHRM3CHRM2CHRM1
SCHEMBL5007163 0.83 GAA (0.61) GAAATMCHRM3CHRM2CHRM1
SCHEMBL5003333 0.83 GAA (0.58) GAAATMCHRM3CHRM2CHRM1

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 GAA 1166/4885ATM 2639/4885CHRM3 1/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 GAA 983/4885ATM 2369/4885CHRM3 1/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 GAA 1716/4885ATM 2233/4885CHRM3 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.