SCHEMBL16702932

SCHEMBL16702932

O=C(O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ F2 P00734 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44

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
SCHEMBL18094969 0.95 OPRM1 (0.45) OPRM1OPRD1F2ACEACE2
SCHEMBL16703185 0.95 OPRM1 (0.45) OPRM1OPRD1F2ACEACE2
SCHEMBL23863946 0.89 F2 (0.52) OPRM1F2ACE
SCHEMBL16706524 0.89 F2 (0.52) OPRM1F2ACE
SCHEMBL24448317 0.89 F2 (0.52) OPRM1F2ACE
SCHEMBL18094994 0.89 OPRM1 (0.58) OPRM1OPRD1F2
SCHEMBL31230863 0.89 OPRM1 (0.58) OPRM1OPRD1F2
SCHEMBL16702684 0.89 OPRM1 (0.58) OPRM1OPRD1F2
SCHEMBL20853476 0.89 OPRM1 (0.58) OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL16703240 0.88 OPRM1 (0.58) OPRM1OPRD1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001272-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2022-05-25 — — EP disclosed
EP-3564234-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-09-29 — — EP disclosed
US-20210040039-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-02-11 — — US disclosed
US-10815199-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2020-10-27 — — US disclosed
EP-3564234-A1 NMDA ANTAGONIST PRODRUGS AstraZeneca AB (SE) 2019-11-06 — — EP disclosed
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-05-23 — — US disclosed
EP-3066091-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-04-03 — — EP disclosed
US-10207994-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2019-02-19 — — US disclosed
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2018-02-08 — — US disclosed
US-9822075-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2017-11-21 — — US disclosed
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2016-09-29 — — US disclosed
EP-3066091-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2016-09-14 — — EP disclosed
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 — — 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 (6 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-20210040039-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885
US-10815199-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885
US-10207994-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A OPRM1 24/4885OPRD1 29/4885F2 2781/4885

“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.

Send feedback