SCHEMBL30104732

SCHEMBL30104732

N=C(N)NCCC[C@H](NC(=O)[C@H](N)CS)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.45
▸ OPRM1 P35372 4/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ EPHA2 P29317 2/20 0.43
▸ RAMP3 O60896 5/20 0.42
▸ CALCR P30988 5/20 0.42
▸ NMUR2 Q9GZQ4 2/20 0.42
▸ NMUR1 Q9HB89 2/20 0.42

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
SCHEMBL30104718 0.98 CXCR4 (0.46) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL29864852 0.92 OPRM1 (0.51) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL29864927 0.92 OPRM1 (0.51) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL29864866 0.92 OPRM1 (0.51) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL9293866 0.92 NMUR2 (0.50) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL12680175 0.91 CXCR4 (0.45) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL2790805 0.91 CXCR4 (0.45) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL2790798 0.91 CXCR4 (0.45) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL8628213 0.91 CXCR4 (0.46) CXCR4OPRM1OPRD1EPHA2RAMP3
SCHEMBL8382696 0.90 CXCR4 (0.45) CXCR4OPRM1OPRD1EPHA2RAMP3

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-20220378950-A1 COMPOUNDS HAVING RD TARGETING MOTIFS AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2022-12-01 — — 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-20220378950-A1 COMPOUNDS HAVING RD TARGETING MOTIFS AND METHODS OF USE THEREOF DDR1, CD47, ILK CXCR4 63/4885OPRM1 2416/4885OPRD1 2622/4885

“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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