SCHEMBL14479337

SCHEMBL14479337

CCCCCCCCCCCCCCCCS(=O)(=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 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 5/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ GRIA1 P42261 6/20 0.46
▸ GRIA2 P42262 1/20 0.46

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
SCHEMBL14479425 0.94 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479368 0.94 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479424 0.93 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479407 0.90 NPY4R (0.48) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479394 0.90 GRIA1 (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479422 0.86 NPY4R (0.57) —
SCHEMBL14479367 0.84 GRIA1 (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL17166399 0.84 GRIA1 (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479364 0.83 GRIA1 (0.54) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14479414 0.83 GRIA1 (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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 CHRND 412/4885CHRNA1 359/4885CHRNG 201/4885

“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