SCHEMBL2976394

SCHEMBL2976394

CCOCCOCCN1CCC(n2c(=O)n(C)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 2/20 0.52
CYP3A4 P08684 3/20 0.50
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
OPRM1 P35372 3/20 0.47
OPRL1 P41146 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
OPRK1 P41145 1/20 0.46
CTSS P25774 6/20 0.46
HSD11B1 P28845 1/20 0.45
CHRM1 P11229 2/20 0.45
KCNH2 Q12809 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL14186021 0.82 DRD2 (0.57) DRD2SLC6A4CYP3A4CACNA1GCACNA1H
SCHEMBL2993173 0.81 CYP2D6 (0.73) DRD2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL11929005 0.76 SIGMAR1 (0.59) DRD2SLC6A4HRH1CYP3A4CACNA1G
SCHEMBL23937829 0.76 DDB1 (0.56) DRD2SLC6A4CYP3A4CTSSHSD11B1
SCHEMBL20369282 0.74 DRD2 (0.57) DRD2HRH1CYP3A4CACNA1GCACNA1H
SCHEMBL2990269 0.74 CYP2D6 (0.64) DRD2SLC6A4HRH1CYP3A4CACNA1G
SCHEMBL14186019 0.74 OPRL1 (0.74) DRD2SLC6A4CYP3A4OPRM1OPRL1
SCHEMBL4919872 0.74 OPRL1 (0.74) DRD2SLC6A4CYP3A4OPRM1OPRL1
SCHEMBL2149806 0.74 HRH3 (0.46) DRD2HRH1CYP3A4CACNA1GCACNA1H
SCHEMBL2987761 0.73 HRH1 (0.56) DRD2SLC6A4HRH1CHRM1KCNH2

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-20100173941-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-2035407-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA AstraZeneca AB (SE) 2009-03-18 EP claimed
WO-2007142584-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-20100173941-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-20100173941-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-20100173941-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-2035407-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142584-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-2007142584-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-20100173941-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 DRD2 119/4885SLC6A4 751/4885HRH1 207/4885

“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.