SCHEMBL29648934

SCHEMBL29648934

N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.62
CCKBR P32239 3/20 0.59
CCKAR P32238 1/20 0.56
DPP3 Q9NY33 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
SCHEMBL24403862 0.91 CCKBR (0.57) OPRM1CCKBRCCKARDPP3
SCHEMBL29648960 0.87 DPP3 (0.69) OPRM1DPP3
SCHEMBL30610091 0.87 DPP3 (0.69) OPRM1DPP3
SCHEMBL3936861 0.85 MCL1 (0.60) CCKBRCCKAR
SCHEMBL4440559 0.85 ALOX15 (0.61)
SCHEMBL4440562 0.85 ALOX15 (0.61)
SCHEMBL30311040 0.85 CCKBR (0.71) CCKBRCCKAR
SCHEMBL29974089 0.84 DPP3 (0.66) OPRM1DPP3
SCHEMBL29772686 0.83 DPP3 (0.65) OPRM1DPP3
SCHEMBL29577213 0.83 DPP3 (0.65) OPRM1DPP3

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-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-05-10 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-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity OPRL1, OPRM1, OPRK1 OPRM1 2/4885CCKBR 24/4885CCKAR 12/4885

“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.