SCHEMBL4084693

SCHEMBL4084693

Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 19/20 1.00
CHRM1 P11229 19/20 1.00
CHRM3 P20309 19/20 1.00
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL5011247 0.90 CHRM2 (0.81) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5011244 0.90 CHRM2 (0.81) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5006987 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5006993 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5007104 0.84 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1924793 0.84 CHRM2 (0.80) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL19856816 0.81 CHRM3 (0.68) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5006854 0.81 CHRM2 (0.79) CHRM2CHRM1CHRM3
SCHEMBL5006852 0.81 CHRM2 (0.79) CHRM2CHRM1CHRM3
SCHEMBL5011147 0.80 CHRM3 (0.67) CHRM2CHRM1CHRM3CHRM4CHRM5

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 3 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 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 (1 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

“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.