SCHEMBL30788009

SCHEMBL30788009

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 3/20 0.53
NMUR1 Q9HB89 2/20 0.53
OPRK1 P41145 3/20 0.52
SLC6A2 P23975 1/20 0.52
ACE P12821 5/20 0.52
ACE2 Q9BYF1 4/20 0.52

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
SCHEMBL30010736 0.87 ACE (0.56) SLC6A2ACEACE2
SCHEMBL7411063 0.86 ACE (0.56) NMUR2OPRK1ACEACE2
SCHEMBL8060131 0.86 ACE (0.56) NMUR2OPRK1ACEACE2
SCHEMBL29632816 0.86 ACE (0.57) OPRK1ACEACE2
SCHEMBL30886747 0.86 OPRK1 (0.57) OPRK1SLC6A2ACEACE2
SCHEMBL30203894 0.85 NMUR2 (0.54) NMUR2NMUR1OPRK1SLC6A2
SCHEMBL34461922 0.85 SLC6A2 (0.57) NMUR2NMUR1OPRK1SLC6A2
SCHEMBL7259788 0.85 ACE (0.64) ACEACE2
SCHEMBL7259790 0.85 ACE (0.64) ACEACE2
SCHEMBL29630548 0.85 SLC6A2 (0.53) SLC6A2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-02-08 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 (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-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS LIPA, PHOSPHO1, NGLY1 NMUR2 1595/4885NMUR1 1645/4885OPRK1 4743/4885

“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.