SCHEMBL14479343

SCHEMBL14479343

CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 10/20 0.52
▸ GRIA1 P42261 1/20 0.51
▸ CD40 P25942 2/20 0.51
▸ NPY5R Q15761 7/20 0.51
▸ NPY1R P25929 6/20 0.51
▸ NPY4R P50391 6/20 0.51
▸ NPY2R P49146 4/20 0.51

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
SCHEMBL17166408 0.93 NPY4R (0.52) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL14479330 0.91 NPY4R (0.59) NPBWR1GRIA1NPY5RNPY1RNPY4R
SCHEMBL14479420 0.91 NPY4R (0.59) NPBWR1GRIA1NPY5RNPY1RNPY4R
SCHEMBL14479448 0.91 NPBWR1 (0.54) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL14479400 0.90 NPBWR1 (0.54) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL17166409 0.90 NPY4R (0.56) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL17166418 0.90 NPY4R (0.56) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL14479364 0.89 GRIA1 (0.54) NPBWR1GRIA1CD40NPY5RNPY1R
SCHEMBL14479394 0.88 GRIA1 (0.55) GRIA1CD40NPY5RNPY1RNPY4R
SCHEMBL17166399 0.88 GRIA1 (0.55) GRIA1CD40

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-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — 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-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 NPBWR1 2853/4885GRIA1 561/4885CD40 183/4885

“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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