SCHEMBL21581735

SCHEMBL21581735

NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ BDKRB2 P30411 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
SCHEMBL26454172 0.90 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL21581709 0.90 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL21581716 0.88 OPRM1 (0.56) OPRM1OPRD1
SCHEMBL17722485 0.88 OPRM1 (0.56) OPRM1OPRD1BDKRB2
SCHEMBL17722493 0.88 OPRM1 (0.56) OPRM1OPRD1BDKRB2
SCHEMBL26455037 0.87 OPRM1 (0.54) OPRM1OPRD1BDKRB2
SCHEMBL26454528 0.87 OPRM1 (0.51) OPRM1OPRD1BDKRB2
SCHEMBL21581737 0.86 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL21581726 0.86 OPRM1 (0.53) OPRM1OPRD1BDKRB2
SCHEMBL29590305 0.86 OPRM1 (0.60) OPRM1OPRD1BDKRB2

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 4379/4885BDKRB2 2308/4885

“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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