SCHEMBL1537285

SCHEMBL1537285

N[C@H](Cc1cnc[nH]1)C(=O)OC(=O)[C@H](N)Cc1cnc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.71
▸ SLC7A5 Q01650 1/20 0.71
▸ HRH4 Q9H3N8 3/20 0.54
▸ HRH3 Q9Y5N1 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ BLM P54132 1/20 0.53

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
SCHEMBL163444 1.00 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.98 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL9082370 0.94 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL9083164 0.94 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL15911724 0.94 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28328192 0.94 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1673289 0.93 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Sulfuric Acid SCHEMBL9797625 0.93 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3457999 0.93 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5221763 0.92 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856167-A1 USE OF HISTIDINE, GLYCINE AND OTHER AMINOACIDS FOR PREVENTING INSULIN RESISTANCE AND/OR DIABETES Société des Produits Nestlé S.A. (CH) 2021-08-04 — — EP disclosed
WO-2020064692-A1 USE OF HISTIDINE, GLYCINE AND OTHER AMINOACIDS FOR PREVENTING INSULIN RESISTANCE AND/OR DIABETES Société des Produits Nestlé S.A. (CH) 2020-04-02 — — WO disclosed
US-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 — — US disclosed
WO-2011144358-A1 HISTIDINE-CONTAINING SOLUTION FOR TRANSFECTION AND/OR INJECTION OF NUCLEIC ACIDS AND USES THEREOF CUREVAC GMBH (DE) 2011-11-24 — — WO disclosed
EP-2296693-A1 COMPOSITIONS FOR ENHANCING THE ANTIBACTERIAL ACTIVITY OF MYELOPEROXIDASE AND METHODS OF USE THEREOF Exoxemis, Inc. (US) 2011-03-23 — — EP disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 — — US disclosed
WO-2009137697-A1 COMPOSITIONS FOR ENHANCING THE ANTIBACTERIAL ACTIVITY OF MYELOPEROXIDASE AND METHODS OF USE THEREOF EXOXEMIS, INC. (US) 2009-11-12 — — 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 (1 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-20100016229-A1 Oral GLP-1 Formulations GLP1R, GIPR, GCGR CYP3A4 1114/4885SLC7A5 1315/4885HRH4 1077/4885

“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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