SCHEMBL18100583

SCHEMBL18100583

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.45
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ ACE P12821 7/20 0.39
▸ ACE2 Q9BYF1 4/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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 0.90 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
SCHEMBL20859176 0.90 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
SCHEMBL20853459 0.90 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
SCHEMBL30814181 0.90 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
SCHEMBL16704083 0.90 ELANE (0.42) ELANEITGB3ITGA2BDPP4KCNH2
SCHEMBL16704276 0.90 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
Hydrochloric Acid SCHEMBL20853486 0.89 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
Hydrochloric Acid SCHEMBL16704082 0.89 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
Hydrochloric Acid SCHEMBL29613732 0.89 DPP4 (0.51) ELANEITGB3ITGA2BDPP4
Hydrochloric Acid SCHEMBL16704079 0.89 DPP4 (0.51) ELANEITGB3ITGA2BDPP4

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-10815199-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2020-10-27 — — US disclosed
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-05-23 — — 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

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-10815199-B2 NMDA antagonist prodrugs GRIN1, GRIN2A, GRIN3A ELANE 2956/4885ITGB3 3476/4885ITGA2B 2523/4885
US-20190152914-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885ITGB3 3476/4885ITGA2B 2523/4885
US-20160280647-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885ITGB3 3476/4885ITGA2B 2523/4885
US-20180037550-A1 NMDA ANTAGONIST PRODRUGS GRIN1, GRIN2A, GRIN3A ELANE 2956/4885ITGB3 3476/4885ITGA2B 2523/4885

“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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