SCHEMBL2226038

SCHEMBL2226038

C=CCOC(=O)N1C2CCC1CC(NCCN)C2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.62
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL13853082 0.82 CHRM1 (0.51) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13686569 0.82 CHRM1 (0.51) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL4171071 0.82 CHRM1 (0.51) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13686549 0.81 CHRM1 (0.55) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13853077 0.79 CHRM1 (0.49) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13686552 0.79 CHRM1 (0.49) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13686550 0.79 CHRM1 (0.49) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13853087 0.78 CHRM1 (0.53) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL13853089 0.78 CHRM1 (0.53) CHRM1CHRM4CHRM5ALDH1A1GAA
SCHEMBL2148274 0.77 CHRM1 (1.00) CHRM1CHRM4CHRM5

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
US-8697691-B2 Alkyl 3-((2-amidoethyl)amino)-8-azabicyclo[3.2.1]octane-8-carboxylate analogs as selective M1 agonists and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
US-8697691-B2 Alkyl 3-((2-amidoethyl)amino)-8-azabicyclo[3.2.1]octane-8-carboxylate analogs as selective M1 agonists and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
US-20110172227-A1 ALKYL 3-((2-AMIDOETHYL)AMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE ANALOGS AS SELECTIVE M1 AGONISTS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2011-07-14 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-20110172227-A1 ALKYL 3-((2-AMIDOETHYL)AMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE ANALOGS AS SELECTIVE M1 AGONISTS AND METHODS OF MAKING AND USING SAME CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM4 4/4885CHRM5 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.