SCHEMBL1024531

SCHEMBL1024531

CC(C)(C)N(C(=O)O)[C@H](CO)CCCN

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.42
▸ GSR P00390 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.32
▸ GABRR1 P24046 2/20 0.31

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
SCHEMBL1024050 0.89 GABRR1 (0.36) CPB2GSRGABRR1
SCHEMBL15238859 0.84 CA2 (0.41) —
SCHEMBL15239244 0.84 CA2 (0.41) —
SCHEMBL3726149 0.84 ACACB (0.30) —
SCHEMBL18342420 0.82 — —
SCHEMBL18342421 0.82 — —
SCHEMBL16195856 0.81 — —
SCHEMBL14908935 0.80 CHRM1 (0.35) —
SCHEMBL14908934 0.80 CHRM1 (0.35) —
SCHEMBL23833303 0.79 ALOX15 (0.41) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 — — EP disclosed
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 — — US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — 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 (2 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC CPB2 2025/4885GSR 833/4885RNPEP 648/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 CPB2 1343/4885GSR 743/4885RNPEP 497/4885

“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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