SCHEMBL2996696

SCHEMBL2996696

O=C1CCCN1CCC(=O)N1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.55
OPRK1 P41145 10/20 0.55
OPRL1 P41146 10/20 0.55
CHRM2 P08172 7/20 0.54
CHRM4 P08173 7/20 0.54
CHRM1 P11229 7/20 0.54
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
CHRM3 P20309 6/20 0.51

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
SCHEMBL2996985 0.80 OPRM1 (0.65) OPRM1OPRK1OPRL1
SCHEMBL2991534 0.80 OPRM1 (0.65) OPRM1OPRK1OPRL1
SCHEMBL2996661 0.78 TNKS (0.47) OPRM1OPRL1CHRM2CHRM4CHRM1
SCHEMBL27750678 0.77 OPRM1 (0.51) OPRM1OPRK1OPRL1HTR2AHTR7
SCHEMBL2988260 0.77 KCNH2 (0.69) OPRM1OPRK1OPRL1CHRM4CHRM1
SCHEMBL13243464 0.77 KCNH2 (0.69) OPRM1OPRK1OPRL1CHRM4CHRM1
SCHEMBL13243461 0.77 KCNH2 (0.69) OPRM1OPRK1OPRL1CHRM4CHRM1
SCHEMBL2995221 0.77 CHRM1 (0.55) CHRM2CHRM4CHRM1HTR7CHRM3
SCHEMBL13243467 0.77 OPRM1 (0.60) OPRM1OPRK1OPRL1CHRM4CHRM1
SCHEMBL13243419 0.74 OPRM1 (0.57) OPRM1OPRK1OPRL1CHRM4CHRM1

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 7 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
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 OPRM1 25/4885OPRK1 32/4885OPRL1 17/4885

“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.