SCHEMBL4016599

SCHEMBL4016599

Nc1cccc(C23CCCC(C2)N(CC2CC2)CC3)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.53
OPRK1 P41145 15/20 0.53
OPRM1 P35372 13/20 0.53
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4026045 0.90 OPRK1 (0.52) OPRD1OPRK1OPRM1SIGMAR1
SCHEMBL4026966 0.87 OPRK1 (0.59) OPRD1OPRK1OPRM1
SCHEMBL4019586 0.87 OPRK1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL4024690 0.86 OPRM1 (0.48) OPRD1OPRK1OPRM1SIGMAR1
SCHEMBL4016931 0.84 OPRK1 (0.49) OPRD1OPRK1OPRM1
SCHEMBL4020717 0.84 OPRK1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL4016591 0.83 OPRK1 (0.47) OPRD1OPRK1OPRM1
SCHEMBL4016595 0.83 OPRK1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL4026836 0.83 OPRK1 (0.48) OPRD1OPRK1OPRM1
SCHEMBL4017773 0.82 OPRK1 (0.46) OPRD1OPRK1OPRM1

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 OPRD1 1/4885OPRK1 2/4885OPRM1 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.