SCHEMBL22092035

SCHEMBL22092035

O=C(O)[C@@H]1C[C@@H](OCCOC2CCCCO2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.45
AGTR2 P50052 4/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL23923066 0.85 MEN1 (0.38) AGTR2MEN1KMT2A
SCHEMBL30854490 0.85 MEN1 (0.38) AGTR2MEN1KMT2A
SCHEMBL21906706 0.84 MEN1 (0.47) PREPSIGMAR1TMEM97MEN1KMT2A
SCHEMBL20681649 0.83 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2148636 0.81 SMN1; SMN2 (0.49) PREPSIGMAR1TMEM97MEN1KMT2A
SCHEMBL6515997 0.81 AGTR2 (0.56) AGTR2KLK7KLK5NPC1RAB9A
SCHEMBL15241314 0.81 AGTR2 (0.56) AGTR2KLK7KLK5NPC1RAB9A
SCHEMBL6281354 0.81 AGTR2 (0.56) AGTR2KLK7KLK5NPC1RAB9A
SCHEMBL29921 0.81 AGTR2 (0.56) AGTR2KLK7KLK5NPC1RAB9A
SCHEMBL578446 0.81 SMN1; SMN2 (0.54) PREPSIGMAR1TMEM97MEN1KMT2A

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
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
CN-113454058-B 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 2024-03-22 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 PREP 33/4885AGTR2 2416/4885KLK7 819/4885

“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.