SCHEMBL26008561

SCHEMBL26008561

CC(=O)[C@@H](N)Cc1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
PSIP1 O75475 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ABAT P80404 1/20 0.43
TPSAB1 Q15661 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL13323408 0.83 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL13879302 0.83 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2603687 0.83 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL13696626 0.83 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14387733 0.83 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL43411 0.83 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL662103 0.83 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4672949 0.83 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8279093 0.83 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12285673 0.83 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP

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-11814444-B2 Cyclic polypeptides for PCSK9 inhibition RA PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP SLC7A5 21/4885ALPI 3748/4885PKM 3544/4885
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition PCSK9, LDLR, PCSK7 SLC7A5 3660/4885ALPI 1584/4885PKM 2025/4885

“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.