SCHEMBL21581721

SCHEMBL21581721

CC(=O)NCSC[C@H](NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ SLC6A2 P23975 1/20 0.50
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL21581719 0.92 OPRM1 (0.51) OPRM1OPRD1SLC6A2
SCHEMBL21581706 0.86 OPRM1 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL29591216 0.80 SLC6A2 (0.63) OPRM1OPRD1SLC6A2
SCHEMBL17722474 0.79 OPRM1 (0.52) OPRM1OPRD1SLC6A2OPRK1
SCHEMBL29630770 0.78 SLC6A2 (0.67) OPRM1OPRD1SLC6A2
SCHEMBL21581733 0.78 OPRM1 (0.53) OPRM1OPRD1
SCHEMBL17722502 0.77 OPRM1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL21581714 0.77 CAPN1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL21581709 0.77 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL26454172 0.77 OPRM1 (0.58) OPRM1OPRD1

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-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2023-05-04 — — US disclosed
WO-2019222805-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2019-11-28 — — WO 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-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW SCLY, SRM, SELENOI OPRM1 4141/4885OPRD1 4379/4885SLC6A2 1652/4885

“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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