SCHEMBL3003287

SCHEMBL3003287

CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.88
CHRM2 P08172 5/20 0.88
CHRM4 P08173 5/20 0.88
CHRM3 P20309 4/20 0.88
CHRM5 P08912 3/20 0.88
ALDH1A1 P00352 2/20 0.59
HSD11B1 P28845 4/20 0.57
ADRA1D P25100 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
DRD2 P14416 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
TACR2 P21452 1/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1B P28222 1/20 0.55
TSPO P30536 1/20 0.55

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
SCHEMBL13243457 1.00 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13243429 1.00 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8488704 0.95 CHRM1 (0.80) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580373 0.94 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4669587 0.91 CHRM1 (0.91) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13243458 0.89 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3411560 0.89 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3000147 0.89 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2998805 0.88 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2998801 0.88 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3CHRM5

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 9 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
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 claimed
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 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
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.