SCHEMBL30051333

SCHEMBL30051333

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.58
CTSD P07339 3/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
LTA4H P09960 1/20 0.53
CTSB P07858 1/20 0.52

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
SCHEMBL29601744 0.93 BACE1 (0.60) BACE1CTSDCTSB
SCHEMBL31462904 0.92 BACE1 (0.59) BACE1CTSD
SCHEMBL30504227 0.92 OPRM1 (0.62) BACE1OPRM1OPRD1LTA4H
SCHEMBL30052163 0.91 CTSD (0.54) BACE1CTSDOPRM1OPRD1LTA4H
SCHEMBL30130747 0.91 BACE1 (0.62) BACE1CTSD
SCHEMBL30538854 0.91 OPRM1 (0.56) BACE1OPRM1OPRD1
SCHEMBL10790323 0.90 BACE1 (0.60) BACE1CTSDLTA4H
SCHEMBL29379268 0.90 BACE1 (0.55) BACE1CTSD
SCHEMBL31612153 0.90 BACE1 (0.55) BACE1CTSD
SCHEMBL28518726 0.90 LTA4H (0.59) BACE1CTSDOPRM1OPRD1LTA4H

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 BACE1 252/4885CTSD 503/4885OPRM1 804/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD BACE1 588/4885CTSD 213/4885OPRM1 2130/4885

“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.