SCHEMBL2842642

SCHEMBL2842642

O=C(NO)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.70
OPRM1 P35372 16/20 0.70
OPRK1 P41145 16/20 0.70
OPRD1 P41143 14/20 0.68

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
SCHEMBL304322 0.85 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2778830 0.85 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1
SCHEMBL8112806 0.85 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4529459 0.82 ADRA1D (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2846505 0.79 GAA (0.68)
SCHEMBL4533417 0.77 ALDH1A1 (0.66) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2843906 0.77 ALDH1A1 (0.65)
SCHEMBL15893381 0.76 OPRL1 (0.64) OPRL1OPRM1OPRK1OPRD1
SCHEMBL541284 0.76 OPRL1 (0.75) OPRL1OPRM1OPRK1OPRD1
SCHEMBL304093 0.76 OPRL1 (0.75) OPRL1OPRM1OPRK1OPRD1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 OPRL1 3314/4885OPRM1 669/4885OPRK1 2041/4885

“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.