SCHEMBL6426905

SCHEMBL6426905

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ SLC7A5 Q01650 1/20 0.58
▸ HRH4 Q9H3N8 3/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ THPO P40225 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ BLM P54132 1/20 0.51

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
SCHEMBL1537310 0.92 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL244229 0.92 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL8373019 0.90 CYP3A4 (0.60) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5652907 0.89 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3457999 0.89 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.89 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL183770 0.88 CYP3A4 (0.55) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL9082370 0.87 CYP3A4 (0.63) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793932-B1 CTP-BASED INSULIN ANALOGS FOR TREATMENT OF DIABETES UNIV INDIANA RES & TECH CORP (US) 2018-10-03 — — EP claimed
US-20160184271-A1 Amino Acid Composition for Use in the Treatment of a PDD N. V. NUTRICIA (NL) 2016-06-30 — — US disclosed
EP-3016647-A1 AMINO ACID COMPOSITION FOR USE IN THE TREATMENT OF A PDD N.V. Nutricia (NL) 2016-05-11 — — EP disclosed
WO-2015002527-A1 AMINO ACID COMPOSITION FOR USE IN THE TREATMENT OF A PDD N.V. NUTRICIA (NL) 2015-01-08 — — WO disclosed
WO-2015002537-A1 AMINO ACID COMPOSITION FOR USE IN THE TREATMENT OF A PDD N.V. NUTRICIA (NL) 2015-01-08 — — WO disclosed
US-20050192460-A1 Process for preparing amino acid esters and their acid addition salts GOLDSCHMIDT GMBH (DE) 2005-09-01 — — US disclosed
EP-1150709-A2 ANTI-MICROBIAL AGENTS, DIAGNOSTIC REAGENTS, AND VACCINES BASED ON APICOMPLEXAN PARASITE COMPONENTS Mcleod, Rima W. (US) 2001-11-07 — — EP disclosed
WO-2000066154-A2 ANTI-MICROBIAL AGENTS, DIAGNOSTIC REAGENTS, AND VACCINES BASED ON UNIQUE APICOMPLEXAN PARASITE COMPONENTS ARCH DEVELOPMENT CORPORATION (US) 2000-11-09 — — WO disclosed
EP-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS — 1993-09-22 — — EP disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 — — EP 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-20050192460-A1 Process for preparing amino acid esters and their acid addition salts BCAT1, BCAT2, MAX CYP3A4 1066/4885SLC7A5 40/4885HRH4 2612/4885

“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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