SCHEMBL12646331

SCHEMBL12646331

CCOC(=O)N1CC[C@@]23CC(=O)CCC2C1Cc1c(Br)cc(OC)c(O)c13

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
OPRM1 P35372 5/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12588924 0.91 GAA (0.42) GAAOPRM1OPRD1OPRK1
SCHEMBL10066077 0.84 GAA (0.54) GAAOPRM1OPRD1OPRK1MAPT
SCHEMBL18458095 0.84 GAA (0.45) GAAOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL12646375 0.83 GAA (0.52) GAAOPRM1OPRD1OPRK1
SCHEMBL10033224 0.82 GAA (0.54) GAAOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL12646269 0.82 GAA (0.51) GAAOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL10222586 0.81 OPRM1 (0.55) GAAOPRM1OPRD1OPRK1
SCHEMBL28925147 0.76 GAA (0.70) GAAOPRM1OPRD1OPRK1MAPT
SCHEMBL12945025 0.76 GAA (0.38) GAAALDH1A1
SCHEMBL6123801 0.75 GAA (0.46) GAAOPRM1OPRD1OPRK1ALDH1A1

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
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed
US-9562014-B2 (+)-morphinans as antagonists of toll-like receptor 9 and therapeutic uses thereof MALLINCKRODT LLC (US) 2017-02-07 US disclosed
US-20170029432-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT ENTERPRISES LLC 2017-02-02 US disclosed
US-20150335638-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF STRATATECH CORPORATION 2015-11-26 US disclosed
US-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof MALLINCKRODT INC. (US) 2011-06-09 US disclosed
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof MALLINCKRODT INC. (US) 2011-01-20 US 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 (4 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-20170029432-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 GAA 1100/4885OPRM1 5/4885OPRD1 13/4885
US-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR7 GAA 1100/4885OPRM1 5/4885OPRD1 13/4885
US-20150335638-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 GAA 1006/4885OPRM1 30/4885OPRD1 141/4885
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR1 GAA 2289/4885OPRM1 17/4885OPRD1 51/4885

“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.