Sugi Predict

Sugi Predict / Compounds / SCHEMBL12588809

SCHEMBL12588809

SCHEMBL12588809

Cc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)N(CC2CC2)CC[C@@]314

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.59
▸ OPRK1 P41145 7/20 0.59
▸ OPRM1 P35372 6/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ MRGPRX2 Q96LB1 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL12306940 1.00 OPRD1 (0.59) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12929746 0.96 OPRM1 (0.58) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL9920115 0.90 OPRD1 (0.57) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL18457895 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12960790 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL17284668 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12232839 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12944954 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL18457892 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D
SCHEMBL12232840 0.89 OPRM1 (0.76) OPRD1OPRK1OPRM1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRD1 13/4885OPRK1 11/4885OPRM1 5/4885
US-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR7 OPRD1 13/4885OPRK1 11/4885OPRM1 5/4885
US-20150335638-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 OPRD1 141/4885OPRK1 101/4885OPRM1 30/4885
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR1 OPRD1 51/4885OPRK1 24/4885OPRM1 17/4885

“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.