SCHEMBL4017919

SCHEMBL4017919

CS(=O)(=O)Nc1cccc(C23CCCC(C2)N(CCCC2(O)CCCCC2)CC3)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.59
OPRK1 P41145 15/20 0.59
OPRD1 P41143 14/20 0.59
KCNH2 Q12809 2/20 0.59
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 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
SCHEMBL4024662 0.99 OPRM1 (0.57) OPRM1OPRK1OPRD1KCNH2HRH3
SCHEMBL4021261 0.91 OPRM1 (0.48) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4024669 0.90 OPRM1 (0.46) OPRM1OPRK1OPRD1KCNH2HRH3
SCHEMBL4019178 0.87 OPRK1 (0.44) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4023569 0.87 OPRM1 (0.45) OPRM1OPRK1OPRD1KCNH2HRH3
SCHEMBL4017382 0.86 OPRK1 (0.42) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4017784 0.86 OPRK1 (0.44) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4026593 0.86 OPRK1 (0.44) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4016625 0.86 OPRK1 (0.44) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4020693 0.85 OPRK1 (0.43) OPRM1OPRK1OPRD1KCNH2

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 11 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-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
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
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.