SCHEMBL29580259

SCHEMBL29580259

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 3/20 0.59
CMA1 P23946 1/20 0.58
XIAP P98170 4/20 0.54
SLC6A2 P23975 1/20 0.54
OPRM1 P35372 2/20 0.53
POLB P06746 1/20 0.53
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
F2 P00734 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
SCHEMBL30444544 0.96 CMA1 (0.58) DPP3CMA1XIAPSLC6A2OPRM1
SCHEMBL29579575 0.93 CMA1 (0.58) CMA1XIAPSLC6A2OPRM1POLB
SCHEMBL29973755 0.93 DPP3 (0.56) DPP3CMA1XIAPSLC6A2OPRM1
SCHEMBL31114351 0.90 SLC6A2 (0.54) DPP3XIAPSLC6A2OPRM1OPRD1
SCHEMBL29580824 0.89 POLB (0.56) CMA1SLC6A2OPRM1POLBOPRD1
SCHEMBL30945872 0.88 DPP3 (0.62) DPP3CMA1XIAPSLC6A2OPRM1
SCHEMBL30973949 0.87 OPRM1 (0.59) CMA1XIAPSLC6A2OPRM1OPRD1
SCHEMBL31275697 0.87 SLC6A2 (0.59) CMA1SLC6A2OPRM1OPRD1OPRK1
SCHEMBL29579260 0.86 SLC6A2 (0.66) SLC6A2OPRM1OPRD1
SCHEMBL31226681 0.86 LNPEP (0.55) CMA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 US 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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP DPP3 489/4885CMA1 1879/4885XIAP 384/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP DPP3 489/4885CMA1 1879/4885XIAP 384/4885

“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.