SCHEMBL22108708

SCHEMBL22108708

CN(O)C(=O)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.59
▸ TPH1 P17752 2/20 0.58
▸ PTGS1 P23219 3/20 0.58
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ HIF1A Q16665 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ DRD3 P35462 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
SCHEMBL22108668 1.00 SLC7A5 (0.59) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL25356949 0.88 SLC7A5 (0.61) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL25356945 0.88 SLC7A5 (0.61) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL23935470 0.86 GRIK1 (0.49) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL93538 0.82 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL6777440 0.82 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL93537 0.82 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL2310526 0.82 SLC7A5 (0.83) SLC7A5TPH1PTGS1ALPIPKM
Ammonia Solution, Strong SCHEMBL18166510 0.81 SLC7A5 (0.65) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL31021359 0.81 SLC7A5 (0.65) SLC7A5TPH1PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 — — CN disclosed
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 — — US disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 — — EP disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 — — 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 SLC7A5 17/4885TPH1 3320/4885PTGS1 1398/4885

“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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