SCHEMBL14479393

SCHEMBL14479393

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)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 18/20 0.66
▸ NPY5R Q15761 10/20 0.66
▸ NPY1R P25929 10/20 0.66
▸ NPY2R P49146 7/20 0.66
▸ NPBWR1 P48145 1/20 0.56

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
SCHEMBL14479416 0.99 NPY4R (0.67) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166418 0.94 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166409 0.94 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479447 0.92 NPY4R (0.63) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479422 0.92 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479409 0.92 NPY4R (0.62) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479327 0.92 NPY4R (0.62) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166399 0.90 GRIA1 (0.55) —
SCHEMBL17166417 0.90 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479404 0.90 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RNPBWR1

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-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
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 NPY4R 2868/4885NPY5R 3514/4885NPY1R 2352/4885

“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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