SCHEMBL5399554

SCHEMBL5399554

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(Cc1cnc3ccccc3c1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.44
OPRM1 P35372 4/20 0.42
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ROCK2 O75116 2/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL5395112 0.87 OPRM1 (0.46) FAAHOPRM1KCNH2ROCK2
SCHEMBL5393317 0.85 OPRM1 (0.53) OPRM1KCNH2ROCK2
SCHEMBL5406689 0.82 OPRM1 (0.58) OPRM1ROCK2
SCHEMBL5414612 0.82 OPRM1 (0.48) OPRM1KCNH2
SCHEMBL5410198 0.82 OPRM1 (0.43) FAAHOPRM1KCNH2
SCHEMBL5398798 0.82 OPRM1 (0.55) FAAHOPRM1DPP4DPP8
SCHEMBL5403611 0.82 OPRM1 (0.45) OPRM1KCNH2
SCHEMBL5401113 0.81 OPRM1 (0.43) FAAHOPRM1KCNH2ROCK2
SCHEMBL5410026 0.81 OPRM1 (0.44) FAAHOPRM1KCNH2
SCHEMBL5399586 0.81 OPRM1 (0.44) OPRM1KCNH2

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 6 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
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US 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 FAAH 531/4885OPRM1 3/4885KCNH2 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.