SCHEMBL4017778

SCHEMBL4017778

NC(=O)c1cccc(C23CCCC(C2)N(Cc2cccc(OC(F)(F)F)c2)CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.46
RIPK1 Q13546 1/20 0.43
CHRM3 P20309 1/20 0.42
EPHX1 P07099 1/20 0.41
AMPD2 Q01433 1/20 0.40
OPRK1 P41145 14/20 0.40
OPRD1 P41143 13/20 0.40

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
SCHEMBL4020238 0.88 OPRM1 (0.47) OPRM1OPRK1OPRD1
SCHEMBL4025612 0.87 CHRM3 (0.43) OPRM1CHRM3OPRK1OPRD1
SCHEMBL4020069 0.86 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL4022492 0.83 OPRK1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL4018902 0.82 OPRM1 (0.55) OPRM1OPRK1OPRD1
SCHEMBL4019499 0.82 CHRM3 (0.41) OPRM1CHRM3OPRK1OPRD1
SCHEMBL4021613 0.81 OPRM1 (0.55) OPRM1OPRK1OPRD1
SCHEMBL4023106 0.81 OPRK1 (0.47) OPRM1OPRK1OPRD1
SCHEMBL4017790 0.80 OPRK1 (0.42) OPRM1OPRK1OPRD1
SCHEMBL4018606 0.80 OPRM1 (0.50) OPRM1OPRK1OPRD1

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 OPRM1 3/4885RIPK1 1812/4885CHRM3 313/4885

“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.