SCHEMBL231102

SCHEMBL231102

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.64
CHRNA7 P36544 2/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
CHRM2 P08172 6/20 0.58
CHRM1 P11229 6/20 0.58
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL231103 1.00 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL227273 0.89 CHRM3 (0.54) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL227272 0.89 CHRM3 (0.54) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230320 0.89 CHRM3 (0.53) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230321 0.89 CHRM3 (0.53) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230610 0.88 CHRM3 (0.55) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230609 0.88 CHRM3 (0.55) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL880898 0.86 CHRM3 (0.49) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL229291 0.86 GLA (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230472 0.86 CHRNA7 (0.61) CHRM3CHRNA7BCHEACHECHRM2

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 CHRM3 1/4885CHRNA7 16/4885BCHE 191/4885

“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.