SCHEMBL29603169

SCHEMBL29603169

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.51
▸ GPR132 Q9UNW8 4/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ BACE1 P56817 4/20 0.46
▸ CMKLR2 P46091 1/20 0.45
▸ CMKLR1 Q99788 1/20 0.45
▸ TBXAS1 P24557 3/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45

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
SCHEMBL30958913 0.94 BACE1 (0.54) NAALAD2BACE1BACE2
SCHEMBL29375944 0.91 NAALAD2 (0.51) NAALAD2GPR132FOLH1TBXAS1MMP9
SCHEMBL4198783 0.89 GPR132 (0.52) GPR132FOLH1CMKLR2CMKLR1TBXAS1
SCHEMBL31754274 0.87 FOLH1 (0.48) GPR132FOLH1CMKLR2CMKLR1HDAC3
SCHEMBL3732243 0.86 NAALAD2 (0.68) NAALAD2BACE1BACE2MME
SCHEMBL3748615 0.86 NAALAD2 (0.68) NAALAD2BACE1BACE2MME
SCHEMBL29602993 0.86 NAALAD2 (0.68) NAALAD2BACE1BACE2MME
SCHEMBL27914476 0.86 NAALAD2 (0.68) NAALAD2BACE1BACE2MME
SCHEMBL2980529 0.86 NAALAD2 (0.68) NAALAD2BACE1BACE2MME
SCHEMBL31000651 0.86 MME (0.50) GPR132FOLH1CMKLR2CMKLR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131339-A1 EPI-X4 BASED PEPTIDES AND DERIVATIVES THEREOF BADEN-WUERTTEMBERG STIFTUNG GGMBH (DE) 2023-04-27 — — US claimed
EP-4110790-A2 EPI-X4 BASED PEPTIDES AND DERIVATIVES THEREOF Universität Ulm (DE) 2023-01-04 — — EP claimed
EP-4574166-A2 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN Pharmaceutica NV (BE) 2025-06-25 — — EP disclosed
EP-3988123-B1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-02-26 — — EP disclosed
WO-2023105497-A1 SYNTHESIS OF GLP-1 ANALOGUES ANTHEM BIOSCIENCES PVT. LTD. (IN) 2023-06-15 — — WO disclosed
US-20230131339-A1 EPI-X4 BASED PEPTIDES AND DERIVATIVES THEREOF BADEN-WUERTTEMBERG STIFTUNG GGMBH (DE) 2023-04-27 — — US disclosed
EP-4110790-A2 EPI-X4 BASED PEPTIDES AND DERIVATIVES THEREOF Universität Ulm (DE) 2023-01-04 — — EP disclosed
EP-3988123-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS Janssen Pharmaceutica NV (BE) 2022-04-27 — — 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 (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-20230131339-A1 EPI-X4 BASED PEPTIDES AND DERIVATIVES THEREOF CXCR4, SDF4, ACKR3 NAALAD2 741/4885GPR132 573/4885FOLH1 2962/4885

“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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