SCHEMBL227117

SCHEMBL227117

O=C(OCc1ccc(F)cc1)OC1CN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.55
▸ CHRM3 P20309 6/20 0.55
▸ CHRM1 P11229 5/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CHRM5 P08912 1/20 0.55
▸ KCNH2 Q12809 1/20 0.47
▸ CYP2D6 P10635 2/20 0.46
▸ CHRNA7 P36544 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL227116 1.00 CHRM2 (0.55) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL227055 0.87 CHRNA7 (0.60) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL227054 0.87 CHRNA7 (0.60) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL227223 0.85 CHRM3 (0.62) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL227222 0.85 CHRM3 (0.62) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL15335456 0.82 CHRM2 (0.57) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL3219330 0.79 MEN1 (0.51) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL3219324 0.79 MEN1 (0.51) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL229454 0.78 CHRNA7 (0.49) CHRM2CHRM3CHRM1CYP2D6CHRNA7
SCHEMBL229455 0.78 CHRNA7 (0.49) CHRM2CHRM3CHRM1CYP2D6CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 — — EP disclosed
US-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-01-05 — — US disclosed
US-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 — — US disclosed
EP-2313404-A1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2011-04-27 — — EP 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-20120004258-A1 QUINUCLIDINE CARBONATE SALTS AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM4 CHRM2 2/4885CHRM3 1/4885CHRM1 4/4885

“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.

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