SCHEMBL29865371

SCHEMBL29865371

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.58
▸ OPRD1 P41143 4/20 0.58
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ CXCR4 P61073 2/20 0.52
▸ NPY2R P49146 4/20 0.50
▸ NPY4R P50391 4/20 0.50
▸ NPY5R Q15761 4/20 0.50
▸ NPY1R P25929 3/20 0.50
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50
▸ NTSR1 P30989 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
SCHEMBL29864813 1.00 OPRM1 (0.58) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864890 1.00 OPRM1 (0.58) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865208 1.00 OPRM1 (0.58) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864827 1.00 OPRM1 (0.58) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865201 0.96 OPRM1 (0.56) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865057 0.96 OPRM1 (0.56) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865041 0.95 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864847 0.95 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865083 0.95 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864816 0.94 OPRM1 (0.59) OPRM1OPRD1NMUR2NMUR1EPHA2

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-20220378950-A1 COMPOUNDS HAVING RD TARGETING MOTIFS AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2022-12-01 — — US disclosed
US-11413359-B2 Compounds having RD targeting motifs and methods of use thereof WASHINGTON UNIVERSITY (US) 2022-08-16 — — 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 (2 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-11413359-B2 Compounds having RD targeting motifs and methods of use thereof DDR1, ILK, CD47 OPRM1 2492/4885OPRD1 2667/4885NMUR2 815/4885
US-20220378950-A1 COMPOUNDS HAVING RD TARGETING MOTIFS AND METHODS OF USE THEREOF DDR1, CD47, ILK OPRM1 2416/4885OPRD1 2622/4885NMUR2 823/4885

“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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