SCHEMBL14479394

SCHEMBL14479394

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(C)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 5/20 0.55
▸ CD40 P25942 1/20 0.52
▸ CHRND Q07001 5/20 0.52
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNG P07510 1/20 0.52
▸ CHRNB1 P11230 1/20 0.52
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50

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
SCHEMBL17166399 0.93 GRIA1 (0.55) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479364 0.93 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479330 0.92 NPY4R (0.59) GRIA1NPY1RNPY2RNPY4RNPY5R
SCHEMBL14479420 0.92 NPY4R (0.59) GRIA1NPY1RNPY2RNPY4RNPY5R
SCHEMBL14479367 0.92 GRIA1 (0.56) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479414 0.91 GRIA1 (0.55) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479448 0.91 NPBWR1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479325 0.90 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479361 0.90 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL16976103 0.90 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG

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 GRIA1 561/4885CD40 183/4885CHRND 412/4885

“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.

Send feedback