SCHEMBL14479331

SCHEMBL14479331

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=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](C)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 5/20 0.53
▸ CHRND Q07001 5/20 0.51
▸ CHRNA1 P02708 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51
▸ CD40 P25942 1/20 0.49

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
SCHEMBL16976066 0.99 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976110 0.95 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479395 0.94 GRIA1 (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479320 0.94 GRIA1 (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976102 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL15185963 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976122 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479361 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976117 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976104 0.93 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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 561/4885CHRND 412/4885CHRNA1 359/4885

“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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