SCHEMBL29648931

SCHEMBL29648931

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

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.90
▸ OPRM1 P35372 1/20 0.82
▸ OPRK1 P41145 1/20 0.82
▸ NTSR1 P30989 5/20 0.74
▸ NTSR2 O95665 1/20 0.71

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
SCHEMBL31009049 0.99 OPRD1 (0.88) OPRD1OPRM1OPRK1NTSR1NTSR2
Dynorphin A (1-11) SCHEMBL30132402 0.97 OPRD1 (0.86) OPRD1OPRM1OPRK1NTSR1NTSR2
Analog Of Dynorphin A SCHEMBL29389694 0.97 OPRD1 (0.86) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL29878209 0.96 OPRD1 (0.85) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL31197421 0.92 OPRD1 (0.77) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL29386868 0.91 OPRD1 (0.82) OPRD1OPRM1OPRK1NTSR1
SCHEMBL31332233 0.89 OPRD1 (0.74) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL11191224 0.89 OPRD1 (0.75) OPRD1OPRM1OPRK1NTSR1NTSR2
Analog Of Dynorphin A SCHEMBL27861937 0.89 OPRD1 (0.75) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL29516648 0.89 OPRD1 (0.78) OPRD1OPRM1OPRK1NTSR1

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 OPRD1 5/4885OPRM1 2/4885OPRK1 3/4885

“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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