SCHEMBL30051143

SCHEMBL30051143

O=C(N[C@H](CCc1ccccc1)C(=O)O)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.59
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACE P12821 8/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL31122847 0.96 CTSC (0.55) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL29413759 0.89 CTSC (0.54) CTSCACEMME
SCHEMBL11187709 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL28122659 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL601566 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL31026629 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL601567 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL28122660 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL21808154 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL3008134 0.87 CTSC (0.68) CTSCHTR2CHTR2BCYP3A4CYP2D6

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-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 US disclosed
US-11820973-B2 Methods and system for interfering with viability of bacteria and related compounds and compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-21 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 CTSC 131/4885HTR2C 3536/4885HTR2B 4144/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD CTSC 37/4885HTR2C 4779/4885HTR2B 4605/4885

“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.