SCHEMBL16704276

SCHEMBL16704276

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.51
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ ELANE P08246 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ DPP8 Q6V1X1 1/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL16704277 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL20859176 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL30814181 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL20853459 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL20853486 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL16704079 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL29613732 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL16704082 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL18094988 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL18100583 0.90 ELANE (0.45) DPP4ELANEITGB3ITGA2B

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001272-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2024-11-13 — — EP claimed
EP-4001272-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2022-05-25 — — EP claimed
EP-3564234-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2021-09-29 — — EP claimed
CN-111187202-A NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2020-05-22 — — CN claimed
CN-105683180-B NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2020-01-21 — — CN claimed
EP-3564234-A1 NMDA ANTAGONIST PRODRUGS AstraZeneca AB (SE) 2019-11-06 — — EP claimed
EP-3066091-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-04-03 — — EP claimed
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2018-02-08 — — US claimed
US-9822075-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2017-11-21 — — US claimed
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2016-09-29 — — US claimed
EP-3066091-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2016-09-14 — — EP claimed
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 — — WO claimed
US-12516023-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2026-01-06 — — US disclosed
EP-4001272-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2024-11-13 — — EP disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
EP-4001272-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2022-05-25 — — EP 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
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 (2 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-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A DPP4 1168/4885OPRM1 24/4885OPRD1 29/4885

“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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