SCHEMBL1697177

SCHEMBL1697177

CN1CC[C@H](OC(=O)Cc2cccc(C3CCCC3)c2O)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
CYP2D6 P10635 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4161374 1.00 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL5385059 0.99 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL4889902 0.82 ALDH1A1 (0.34) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL4184504 0.82 OPRM1 (0.33)
SCHEMBL5116054 0.82 BCHE (0.47) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5115684 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1
SCHEMBL23358779 0.80 CHRM3 (0.41) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL20476348 0.79 KDM4E (0.41) CHRM3ALDH1A1CYP2D6
SCHEMBL5473748 0.79 CHRM3 (0.42) CHRM4CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL1707214 0.79 CHRM3 (0.42) CHRM4CHRM5CHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580194-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE Chiesi Farmaceutici S.p.A. (IT) 2013-04-17 EP claimed
WO-2011157536-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 WO claimed
US-20110306650-A1 PROCESS FOR THE PREPARATION OF GLYCOPYRRONIUM CHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-15 US claimed
US-7253182-B2 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments SOFOTEC GMBH & CO. KG (DE) 2007-08-07 US disclosed
US-6613795-B2 Respiratory system disorders; muscle relaxants Noe, Christian (DE) 2003-09-02 US disclosed
US-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CHRISTIAN NOE AND ERNST MUTSCHLER 2002-11-21 US disclosed
US-6307060-B1 ANTISPASMODIC AGENTS Noe, Christian 2001-10-23 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-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CYP2A13, CYP3A43, HCAR2 CHRM4 1498/4885CHRM5 1225/4885CHRM1 1273/4885

“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.