SCHEMBL5533550

SCHEMBL5533550

CN1CC[C@@H](OC(=O)C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL5539951 1.00 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL4694714 0.84 CHRM3 (0.57) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
Hydrochloric Acid SCHEMBL23199819 0.82 CHRM3 (0.55) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL23199841 0.82 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
Hydrochloric Acid SCHEMBL23199820 0.80 SMN1; SMN2 (0.53) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL13841482 0.80 CHRM1 (0.53) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL13132381 0.80 CHRM1 (0.53) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL12211393 0.80 CHRM1 (0.53) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL12881711 0.79 ALDH1A1 (0.47) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL23931262 0.78 CHRM4 (0.51) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US disclosed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US disclosed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP disclosed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 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 (2 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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM4 5/4885CHRM5 4/4885CHRM1 3/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM4 5/4885CHRM5 4/4885CHRM1 3/4885

“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.