SCHEMBL5409456

SCHEMBL5409456

Nc1cccc(C2(O)C3CCC2CN(CCOCCc2ccccc2)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 3/20 0.40
HRH3 Q9Y5N1 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5403628 0.89 SIGMAR1 (0.52) OPRM1OPRK1SIGMAR1
SCHEMBL5403315 0.89 OPRM1 (0.55) OPRM1OPRK1SIGMAR1MAOAMAOB
SCHEMBL5409451 0.86 OPRM1 (0.50) OPRM1OPRK1
SCHEMBL5394580 0.82 FUCA1 (0.46) OPRM1OPRK1
SCHEMBL5399573 0.78 HTR1A (0.42)
SCHEMBL5403262 0.77 KDM4E (0.46) OPRM1OPRK1MAOB
SCHEMBL5410215 0.77 DRD3 (0.43)
SCHEMBL5401222 0.77 DRD3 (0.43)
SCHEMBL5418719 0.76 OPRM1 (0.38) OPRM1OPRK1
SCHEMBL5403122 0.76 DRD2 (0.46) OPRM1OPRK1

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-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US claimed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP claimed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US claimed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO claimed
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US disclosed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 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 (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-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885SIGMAR1 68/4885

“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.