SCHEMBL4020240

SCHEMBL4020240

Nc1cccc(C23CCCC(C2)N(Cc2cccc(Oc4ccccc4)c2)CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.46
OPRM1 P35372 14/20 0.46
OPRD1 P41143 14/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4020717 0.90 OPRK1 (0.52) OPRK1OPRM1OPRD1
SCHEMBL4025612 0.87 CHRM3 (0.43) OPRK1OPRM1OPRD1
SCHEMBL4020238 0.86 OPRM1 (0.47) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL4022497 0.85 OPRK1 (0.46) OPRK1OPRM1OPRD1
SCHEMBL4023111 0.84 OPRK1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL4021616 0.84 OPRM1 (0.55) OPRK1OPRM1OPRD1
SCHEMBL4022526 0.83 OPRM1 (0.43) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL4018908 0.82 SIGMAR1 (0.45) OPRK1OPRM1OPRD1
SCHEMBL4017755 0.82 OPRK1 (0.49) OPRK1OPRM1OPRD1
SCHEMBL4019970 0.81 OPRK1 (0.46) 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 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 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.