SCHEMBL19361332

SCHEMBL19361332

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.41
▸ LAP3 P28838 5/20 0.40
▸ ANPEP P15144 5/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DNPEP Q9ULA0 1/20 0.34
▸ SLC1A1 P43005 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL20747649 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL2300123 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL22891028 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL27824244 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL2297294 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL17539381 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL27803439 0.83 SLC7A5 (0.41) SLC7A5LAP3TSHRDPP4CHRM2
SCHEMBL23656867 0.82 SLC7A5 (0.44) SLC7A5LAP3ANPEPERAP1SLC1A3
SCHEMBL17662348 0.82 SLC7A5 (0.44) SLC7A5LAP3ANPEPERAP1SLC1A3
SCHEMBL21985751 0.82 DPP4 (0.40) SLC7A5LAP3ANPEPERAP1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 — — US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 — — US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 — — 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-10905683-B2 Compositions and uses of amidine derivatives HRH3, HRH2, HRH1 SLC7A5 1328/4885LAP3 1599/4885ANPEP 587/4885
US-20170266172-A1 Compositions and Uses of Amidine Derivatives HRH3, HRH2, HRH1 SLC7A5 1328/4885LAP3 1599/4885ANPEP 587/4885

“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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