SCHEMBL5417293

SCHEMBL5417293

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(Cc1ccc3c(c1)Cc1ccccc1-3)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.45
FAAH O00519 1/20 0.45
KCNH2 Q12809 3/20 0.44
NR3C1 P04150 1/20 0.43
HTT P42858 1/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL5393317 0.87 OPRM1 (0.53) OPRM1KCNH2NR3C1OPRD1OPRK1
SCHEMBL5414612 0.85 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5395112 0.85 OPRM1 (0.46) OPRM1FAAHKCNH2OPRD1OPRK1
SCHEMBL5403611 0.85 OPRM1 (0.45) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL5410026 0.84 OPRM1 (0.44) OPRM1FAAHKCNH2OPRD1OPRK1
SCHEMBL5399586 0.84 OPRM1 (0.44) OPRM1KCNH2OPRD1OPRK1DRD2
SCHEMBL5404633 0.83 OPRM1 (0.44) OPRM1KCNH2OPRD1OPRK1MAPK1
SCHEMBL5407329 0.82 OPRM1 (0.56) OPRM1FAAHHTTOPRK1
SCHEMBL5399897 0.82 OPRM1 (0.48) OPRM1FAAH
SCHEMBL5418704 0.80 OPRM1 (0.60) OPRM1KCNH2NR3C1OPRD1OPRK1

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 3/4885FAAH 531/4885KCNH2 1671/4885

“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.