SCHEMBL4018902

SCHEMBL4018902

COc1ccc(CN2CCC3(c4cccc(C(N)=O)c4)CCCC2C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.55
OPRK1 P41145 16/20 0.55
OPRD1 P41143 13/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4020069 0.89 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL4023106 0.87 OPRK1 (0.47) OPRM1OPRK1OPRD1
SCHEMBL4017790 0.86 OPRK1 (0.42) OPRM1OPRK1OPRD1
SCHEMBL4022492 0.86 OPRK1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL4018908 0.86 SIGMAR1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL4020238 0.84 OPRM1 (0.47) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL4019582 0.83 OPRK1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL4018606 0.83 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL4017778 0.82 OPRM1 (0.46) OPRM1OPRK1OPRD1
SCHEMBL4023163 0.82 OPRK1 (0.43) OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US claimed
US-7056930-B2 for treatment of disease states, disorders and conditions mediated by opioid receptors; for example, irritable bowel syndrome, drug addiction, including alcohol addiction, depression, anxiety, schizophrenia, eating disorders PFIZER INC. (US) 2006-06-06 US claimed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 US claimed
US-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US disclosed
US-7056930-B2 for treatment of disease states, disorders and conditions mediated by opioid receptors; for example, irritable bowel syndrome, drug addiction, including alcohol addiction, depression, anxiety, schizophrenia, eating disorders PFIZER INC. (US) 2006-06-06 US disclosed
EP-1615893-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2006-01-18 EP disclosed
WO-2004089909-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-10-21 WO disclosed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 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-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885OPRD1 1/4885

“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.