SCHEMBL31433237

SCHEMBL31433237

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.61
▸ NMUR1 Q9HB89 5/20 0.61
▸ OPRD1 P41143 4/20 0.57
▸ NTSR1 P30989 3/20 0.57
▸ RAMP3 O60896 1/20 0.56
▸ CALCR P30988 1/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ CXCR4 P61073 1/20 0.55

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
SCHEMBL30416476 0.90 OPRD1 (0.69) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL29934595 0.89 NMUR2 (0.58) NMUR2NMUR1OPRD1NTSR1RAMP3
SCHEMBL31433178 0.89 RAMP3 (0.52) NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL30436277 0.88 NTSR1 (0.60) NMUR2NMUR1NTSR1OPRM1OPRK1
SCHEMBL31433412 0.88 APLNR (0.58) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL30842156 0.88 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1CXCR4
SCHEMBL30834921 0.88 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL30186436 0.87 CXCR4 (0.58) NMUR2NMUR1RAMP3CALCRCXCR4
SCHEMBL11191224 0.86 OPRD1 (0.75) NMUR2NMUR1OPRD1NTSR1OPRM1
Analog Of Dynorphin A SCHEMBL27861937 0.86 OPRD1 (0.75) NMUR2NMUR1OPRD1NTSR1OPRM1

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 NMUR2 3261/4885NMUR1 3086/4885OPRD1 3640/4885

“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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