SCHEMBL20849759

SCHEMBL20849759

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

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.30
▸ RNPEP Q9H4A4 1/20 0.30
▸ SLC7A5 Q01650 1/20 0.30

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
SCHEMBL20849757 0.83 — —
SCHEMBL25474223 0.78 RNPEP (0.33) RNPEP
SCHEMBL25474219 0.77 AAK1 (0.32) AAK1
SCHEMBL20849760 0.76 CHRM1 (0.37) —
SCHEMBL20849756 0.76 CHRM1 (0.37) —
SCHEMBL12191449 0.76 AAK1 (0.31) AAK1
SCHEMBL25551828 0.76 MMP1 (0.34) —
SCHEMBL12191441 0.76 AAK1 (0.31) AAK1
SCHEMBL22311675 0.75 — —
SCHEMBL25474244 0.74 GAA (0.36) AAK1SLC7A5

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-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY 2019-03-28 — — 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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES MTOR, COASY, RICTOR AAK1 2068/4885RNPEP 1722/4885SLC7A5 805/4885
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA AAK1 171/4885RNPEP 721/4885SLC7A5 2228/4885

“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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