SCHEMBL4699211

SCHEMBL4699211

CCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCCC3(OC(=O)CC(O)(CC(=O)O)C(=O)O)CCCCC3)CC21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.64
KCNH2 Q12809 3/20 0.64
OPRD1 P41143 2/20 0.64
OPRK1 P41145 2/20 0.64

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
Citric Acid SCHEMBL4699202 0.89 OPRM1 (0.81) OPRM1KCNH2OPRD1OPRK1
Citric Acid SCHEMBL5458523 0.85 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4755342 0.79 OPRM1 (0.65) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4697594 0.79 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4699399 0.78 OPRM1 (0.56) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5853122 0.77 OPRM1 (0.80) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4735210 0.77 OPRM1 (0.80) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5461982 0.77 OPRM1 (0.76) OPRM1KCNH2OPRD1OPRK1
Citric Acid SCHEMBL4700323 0.76 OPRM1 (0.60) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5464706 0.76 OPRM1 (0.72) OPRM1KCNH2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP 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
US-7153976-B2 Purification process for an azabicyclo[3.1.0]hexane compound PFIZER INC. (US) 2006-12-26 US disclosed
EP-1678136-A1 PROCESS FOR PREPARING AN AZABICYCLO[3.1.0]HEXANE COMPOUND Pfizer Products Inc. (US) 2006-07-12 EP disclosed
US-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US disclosed
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US disclosed
WO-2005033080-A1 PROCESS FOR PREPARING AN AZABICYCLO[3.1.0]HEXANE COMPOUND PFIZER PRODUCTS INC. (US) 2005-04-14 WO disclosed
US-20050075387-A1 Process for preparing an azabicyclo[3.1.0] hexane compound PFIZER INC 2005-04-07 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 (4 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 542/4885OPRD1 1/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 561/4885OPRD1 1/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 546/4885OPRD1 1/4885
US-20050075387-A1 Process for preparing an azabicyclo[3.1.0] hexane compound AZI2, CYP1B1, CYP4B1 OPRM1 2847/4885KCNH2 1517/4885OPRD1 1930/4885

“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.