SCHEMBL227236

SCHEMBL227236

Cc1cccc([C@@H](OC(=O)OC2CN3CCC2CC3)c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CHRM3 P20309 9/20 0.48
CHRM2 P08172 7/20 0.48
CHRM1 P11229 7/20 0.48
NTMT1 Q9BV86 1/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.42
CHRNA7 P36544 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL227237 1.00 ALDH1A1 (0.54) ALDH1A1CHRM3CHRM2CHRM1NTMT1
SCHEMBL227333 0.94 CHRM3 (0.53) ALDH1A1CHRM3CHRM2CHRM1NTMT1
SCHEMBL227334 0.94 CHRM3 (0.53) ALDH1A1CHRM3CHRM2CHRM1NTMT1
SCHEMBL227457 0.90 CHRM3 (0.50) ALDH1A1CHRM3CHRM2CHRM1NTMT1
SCHEMBL227273 0.90 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL227272 0.90 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL227458 0.90 CHRM3 (0.50) ALDH1A1CHRM3CHRM2CHRM1NTMT1
SCHEMBL227120 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1TSHRRXFP1
SCHEMBL227121 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1TSHRRXFP1
SCHEMBL229595 0.88 CHRM3 (0.46) ALDH1A1CHRM3CHRM2CHRM1NTMT1

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
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

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 ALDH1A1 2885/4885CHRM3 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.