SCHEMBL5406464

SCHEMBL5406464

NC(=O)c1cccc(C2(O)C3CCC2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.58
OPRK1 P41145 12/20 0.58
OPRD1 P41143 6/20 0.49
KCNH2 Q12809 1/20 0.47
ARRB1 P49407 1/20 0.47
P2RY14 Q15391 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CXCR3 P49682 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5403119 0.93 OPRM1 (0.52) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL5409573 0.91 OPRM1 (0.50) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL5403259 0.90 OPRM1 (0.51) OPRM1OPRK1OPRD1KCNH2ALDH1A1
SCHEMBL5403311 0.89 OPRM1 (0.59) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL5417254 0.88 OPRM1 (0.46) OPRM1OPRK1OPRD1
SCHEMBL5407151 0.87 OPRM1 (0.53) OPRM1OPRK1OPRD1KCNH2ALDH1A1
SCHEMBL5403621 0.87 OPRM1 (0.61) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL5406251 0.86 CXCR3 (0.47) OPRM1OPRK1OPRD1CXCR3
SCHEMBL5398073 0.86 OPRM1 (0.59) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL5404536 0.85 HTT (0.51) OPRM1OPRK1OPRD1KCNH2P2RY14

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 4 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 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 2/4885OPRD1 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.