SCHEMBL5404633

SCHEMBL5404633

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(Cc1ccc(N3CCCC3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.44
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
KCNH2 Q12809 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
ROCK2 O75116 5/20 0.38
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5403611 0.88 OPRM1 (0.45) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5393317 0.88 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1ROCK2
SCHEMBL5399586 0.87 OPRM1 (0.44) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5410026 0.87 OPRM1 (0.44) OPRM1KCNH2OPRD1OPRK1MAPK1
SCHEMBL5414612 0.86 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5395112 0.84 OPRM1 (0.46) OPRM1KCNH2OPRD1OPRK1ROCK2
SCHEMBL5417293 0.83 OPRM1 (0.45) OPRM1KCNH2OPRD1OPRK1HPGD
SCHEMBL5406689 0.81 OPRM1 (0.58) OPRM1ROCK2
SCHEMBL5399897 0.81 OPRM1 (0.48) OPRM1
SCHEMBL5394595 0.81 OPRM1 (0.61) OPRM1OPRD1OPRK1

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 3/4885EPHX2 2095/4885NR1H4 169/4885

“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.