SCHEMBL2148576

SCHEMBL2148576

CCOC(=O)N1C2CCC1CC(NCCNC(=O)c1ccc(C)c(F)c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 1.00
CHRM5 P08912 2/20 0.71
CHRM4 P08173 1/20 0.71
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL2148339 0.93 CHRM1 (1.00) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL12462572 0.91 CHRM1 (0.83) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2148036 0.91 CHRM1 (0.83) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2147974 0.88 CHRM1 (1.00) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2147959 0.87 CHRM1 (0.82) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2148223 0.87 CHRM1 (0.81) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2148298 0.85 CHRM1 (1.00) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2147984 0.85 CHRM1 (0.84) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL2147854 0.85 CHRM1 (0.77) CHRM1CHRM5CHRM4KDM4EALDH1A1
SCHEMBL12462058 0.84 CHRM1 (0.81) CHRM1CHRM5CHRM4KDM4ECHRM2

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 2 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-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 1/4885CHRM5 3/4885CHRM4 4/4885

“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.