SCHEMBL5404599

SCHEMBL5404599

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(Cc1ccc(O)c3ccccc13)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.43
KCNH2 Q12809 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
TACR1 P25103 1/20 0.38
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5401113 0.88 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1TACR1
SCHEMBL5408896 0.88 OPRM1 (0.40) OPRM1KCNH2OPRD1OPRK1TACR1
SCHEMBL5410198 0.85 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5396323 0.85 DRD2 (0.42) OPRM1KCNH2OPRD1OPRK1KDM4E
SCHEMBL5397288 0.83 OPRM1 (0.45) OPRM1KCNH2OPRD1OPRK1LMNA
SCHEMBL5393317 0.83 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5404134 0.82 OPRM1 (0.58) OPRM1
SCHEMBL5407307 0.80 OPRM1 (0.41) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5414612 0.80 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5395112 0.80 OPRM1 (0.46) OPRM1KCNH2OPRD1OPRK1

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 3/4885KCNH2 1671/4885OPRD1 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.