SCHEMBL30051382

SCHEMBL30051382

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 1/20 0.38
EPHX2 P34913 1/20 0.38
LARS1 Q9P2J5 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
MAPT P10636 1/20 0.37
PSMB5 P28074 2/20 0.37

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
SCHEMBL3059718 0.92 OPRD1 (0.45) SLC7A5OPRM1OPRD1OPRK1
SCHEMBL3059726 0.92 OPRD1 (0.45) SLC7A5OPRM1OPRD1OPRK1
SCHEMBL30799042 0.89 OPRM1 (0.43) SLC7A5OPRM1OPRD1
SCHEMBL30051696 0.87 ALDH1A1 (0.45) SLC7A5MAPTPSMB5
SCHEMBL30082063 0.87 CTSD (0.46)
SCHEMBL31321026 0.87 ECE1 (0.40) SMN1; SMN2NPSR1OPRD1EPHX2
SCHEMBL30052710 0.84 SLC7A5 (0.48) SLC7A5OPRM1OPRD1OPRK1LARS1
SCHEMBL29349612 0.84 ALDH1A1 (0.42) SMN1; SMN2NPSR1OPRD1EPHX2
SCHEMBL3057413 0.84 SLC7A5 (0.55) SLC7A5SMN1; SMN2LARS1SLC1A3SLC1A2
SCHEMBL9359613 0.84 SLC7A5 (0.55) SLC7A5SMN1; SMN2LARS1SLC1A3SLC1A2

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-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 US disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP SLC7A5 247/4885SMN1; SMN2 4135/4885NPSR1 2720/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD SLC7A5 439/4885SMN1; SMN2 3023/4885NPSR1 489/4885

“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.