SCHEMBL4021792

SCHEMBL4021792

Nc1cccc(C23CCCC(C2)N(CC2(O)CCc4ccccc4C2)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.45
OPRM1 P35372 17/20 0.45
OPRD1 P41143 17/20 0.45

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
SCHEMBL4017947 0.94 OPRK1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL4019352 0.87 OPRK1 (0.46) OPRK1OPRM1OPRD1
SCHEMBL4026836 0.86 OPRK1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL6052799 0.85 OPRK1 (0.41) OPRK1OPRM1OPRD1
SCHEMBL4019135 0.85 OPRK1 (0.47) OPRK1OPRM1OPRD1
SCHEMBL4019809 0.83 OPRK1 (0.53) OPRK1OPRM1OPRD1
SCHEMBL4019474 0.83 OPRM1 (0.49) OPRK1OPRM1OPRD1
SCHEMBL4017936 0.81 OPRK1 (0.51) OPRK1OPRM1OPRD1
SCHEMBL4024690 0.79 OPRM1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL4023843 0.79 OPRK1 (0.47) OPRK1OPRM1OPRD1

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 22 patents — showing the first 20. 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
JP-2007502808-A 2007-02-15 JP 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
EP-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018670-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 US claimed
EP-1615893-B1 2-AZABICYCLO¬3.3.1 NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-11-18 EP disclosed
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-1658082-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP disclosed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005018645-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US disclosed
US-20050043327-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US 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 OPRK1 2/4885OPRM1 3/4885OPRD1 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.