SCHEMBL6655016

SCHEMBL6655016

NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.57
▸ TACR1 P25103 1/20 0.56
▸ BRS3 P32247 3/20 0.55
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ ACE P12821 1/20 0.54
▸ NMBR P28336 3/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 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
SCHEMBL24933037 1.00 CTSL (0.57) CTSLTACR1BRS3OPRM1OPRD1
SCHEMBL25608899 0.94 GHSR (0.57) BRS3OPRM1OPRD1
SCHEMBL29564309 0.94 GHSR (0.57) BRS3OPRM1OPRD1
SCHEMBL26605057 0.91 CTSL (0.54) CTSLTACR1BRS3OPRM1OPRD1
SCHEMBL5178667 0.91 CTSL (0.54) CTSLTACR1BRS3OPRM1OPRD1
SCHEMBL29658156 0.89 OPRD1 (0.57) BRS3OPRM1OPRD1
SCHEMBL30358212 0.89 ACE (0.54) CTSLTACR1OPRM1OPRD1ACE
SCHEMBL29867617 0.88 EDNRA (0.53) CTSLTACR1OPRM1OPRD1ACE
SCHEMBL29565336 0.87 GHSR (0.58) BRS3OPRM1OPRD1
SCHEMBL30052868 0.87 KDM4E (0.60) CTSLOPRM1OPRD1ACENMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004715-A — — None — — JP disclosed
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 — — US disclosed
EP-1436317-A1 MOLECULES THAT BLOCK VIRAL INFECTIVITY AND METHODS OF USE THEREOF TRIPEP AB (SE) 2004-07-14 — — EP disclosed
EP-0779894-B1 ELECTROPHILIC POLYETHYLENE OXIDES FOR THE MODIFICATION OF POLYSACCHARIDES, POLYPEPTIDES (PROTEINS) AND SURFACES BIOSURFACE ENG TECH INC (US) 2003-06-11 — — EP disclosed
WO-2003024995-A1 MOLECULES THAT BLOCK VIRAL INFECTIVITY AND METHODS OF USE THEREOF TRIPEP AB (SE) 2003-03-27 — — WO disclosed
EP-0779894-A4 ELECTROPHILIC POLYETHYLENE OXIDES FOR THE MODIFICATION OF POLYSACCHARIDES, POLYPEPTIDES (PROTEINS) AND SURFACES SURFACE ENG TECH (US) 1998-10-14 — — EP disclosed
US-5650234-A FOR USE AS MEMBRANE COATINGS SURFACE ENGINEERING TECHNOLOGIES, DIVISION OF INNERDYNE, INC. (US) 1997-07-22 — — US disclosed
EP-0779894-A1 ELECTROPHILIC POLYETHYLENE OXIDES FOR THE MODIFICATION OF POLYSACCHARIDES, POLYPEPTIDES (PROTEINS) AND SURFACES SURFACE ENGINEERING TECHNOLOGIES DIVISION OF INNERDYNE, INC. (US) 1997-06-25 — — EP disclosed
WO-1996007670-A9 ELECTROPHILIC POLYETHYLENE OXIDES FOR THE MODIFICATION OF POLYSACCHARIDES, POLYPEPTIDES (PROTEINS) AND SURFACES — 1996-05-23 — — WO disclosed
WO-1996007670-A1 ELECTROPHILIC POLYETHYLENE OXIDES FOR THE MODIFICATION OF POLYSACCHARIDES, POLYPEPTIDES (PROTEINS) AND SURFACES SURFACE ENGINEERING TECHNOLOGIES, DIVISION OF INNERDYNE, INC. (US) 1996-03-14 — — WO disclosed
US-5036052-A Containing a dipeptide of tryptophan and alanine or lecine and no stabilizer; discoloration inhibition MORISHITA PHARMACEUTICAL CO., LTD. (JP) 1991-07-30 — — US disclosed
JP-H024715-A NUTRITIVE TRANSFUSION SOLUTION COMPOSITION OF AMINO ACID NOT CONTAINING STABILIZER MORISHITA PHARMACEUT CO LTD 1990-01-09 — — JP disclosed
EP-0347890-A1 Amino acid nutrient compositions Roussel Morishita Co., Ltd. (JP) 1989-12-27 — — 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 (2 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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP CTSL 108/4885TACR1 2068/4885BRS3 1616/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD CTSL 14/4885TACR1 374/4885BRS3 796/4885

“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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