SCHEMBL4698334

SCHEMBL4698334

CCC1(c2cccc(N)c2)C2CN(CCCC3(O)CCCCC3)CC21

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.69
KCNH2 Q12809 4/20 0.69
OPRK1 P41145 4/20 0.69
OPRD1 P41143 3/20 0.69
ACHE P22303 1/20 0.35

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
SCHEMBL4700091 0.93 OPRM1 (0.60) OPRM1KCNH2OPRK1OPRD1
Citric Acid SCHEMBL4755344 0.89 OPRM1 (0.59) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4697637 0.88 OPRM1 (0.71) OPRM1KCNH2OPRK1OPRD1ACHE
SCHEMBL4700297 0.86 OPRM1 (0.68) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4698382 0.85 OPRM1 (0.52) OPRM1KCNH2OPRK1OPRD1ACHE
SCHEMBL5486045 0.83 OPRM1 (0.50) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4697594 0.82 OPRM1 (1.00) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4700489 0.82 OPRM1 (0.86) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5757025 0.81 OPRM1 (0.45) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5403159 0.81 OPRM1 (0.48) OPRM1KCNH2OPRK1OPRD1ACHE

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075162-A2 SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF FEMALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2008-06-26 WO claimed
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP claimed
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US claimed
JP-2007502808-A 2007-02-15 JP 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
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US 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
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP claimed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US claimed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 WO claimed
WO-2008075162-A2 SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF FEMALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2008-06-26 WO disclosed
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US disclosed
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US disclosed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 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 (3 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-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 542/4885OPRK1 3/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 561/4885OPRK1 3/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 546/4885OPRK1 3/4885

“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.