SCHEMBL2989685

SCHEMBL2989685

CCOC(=O)N1CC[C@@H](N2CCC(n3c(=O)[nH]c4ccc(OC)cc43)CC2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.65
CHRM2 P08172 3/20 0.65
CHRM4 P08173 2/20 0.65
CHRM5 P08912 2/20 0.65
CHRM3 P20309 2/20 0.65
HSD11B1 P28845 3/20 0.52
TNKS O95271 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
OPRM1 P35372 5/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 2/20 0.49
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CALCRL Q16602 1/20 0.46
OPRL1 P41146 1/20 0.46

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
SCHEMBL3006671 1.00 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2989687 1.00 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4636638 0.92 CHRM2 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2998817 0.89 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2998801 0.89 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2998805 0.89 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13243484 0.89 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4541065 0.88 HSD11B1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2996959 0.88 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2996956 0.88 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US claimed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 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 (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-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 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.