SCHEMBL16704083

SCHEMBL16704083

O=C(O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ TRHR P34981 2/20 0.39
▸ F2 P00734 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL20853459 0.90 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
SCHEMBL20859176 0.90 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
SCHEMBL16704277 0.90 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
SCHEMBL18100583 0.90 ELANE (0.45) ELANEDPP4KCNH2ITGB3ITGA2B
SCHEMBL16704276 0.90 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
SCHEMBL30814181 0.90 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
SCHEMBL28392404 0.90 F2 (0.47) ELANEF2
SCHEMBL18103316 0.90 F2 (0.47) ELANEF2
Hydrochloric Acid SCHEMBL16704082 0.89 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL20853486 0.89 DPP4 (0.51) ELANEDPP4F2ITGB3ITGA2B

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 ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885
US-10815199-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885
US-10207994-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885DPP4 1168/4885TRHR 1575/4885

“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.

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