SCHEMBL14199857

SCHEMBL14199857

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 5/20 0.45
NOS1 P29475 4/20 0.45
NOS3 P29474 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC7A5 Q01650 1/20 0.44
BLM P54132 1/20 0.44
DDAH1 O94760 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 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
SCHEMBL29604004 0.95 GSR (0.47) GSRARG2ARG1NOS2NOS1
SCHEMBL14200577 0.91 DPP7 (0.54) GSRARG2ARG1NOS2NOS1
SCHEMBL13005399 0.87 GSR (0.55) GSRARG2ARG1NOS2NOS1
SCHEMBL10583206 0.87 GSR (0.55) GSRARG2ARG1NOS2NOS1
SCHEMBL26913063 0.86 GSR (0.50) GSRARG2ARG1NOS2NOS1
SCHEMBL19726913 0.86 ANPEP (0.41) GSRNOS2NOS1NOS3CYP1A2
SCHEMBL13067630 0.85 GSR (0.46) GSRARG2ARG1NOS2NOS1
SCHEMBL29485083 0.85 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL20801007 0.82 GSR (0.46) GSRARG2ARG1NOS2NOS1
SCHEMBL24642321 0.81 GSR (0.53) GSRARG2ARG1NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
US-20240150405-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2024-05-09 US disclosed
US-20240059753-A1 COMPOSITIONS INCLUDING MULTI-AGONIST PEPTIDES AND METHODS OF MANUFACTURE AND USE PEP2TANGO THERAPEUTICS INC. 2024-02-22 US disclosed
US-11845808-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases JANSSEN BIOTECH, INC. (US) 2023-12-19 US disclosed
US-20230203100-A1 COMPOSITIONS INCLUDING MULTI-AGONIST PEPTIDES AND METHODS OF MANUFACTURE AND USE PEP2TANGO THERAPEUTICS INC. 2023-06-29 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (6 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS GSR 3296/4885ARG2 1935/4885ARG1 1434/4885
US-20230203100-A1 COMPOSITIONS INCLUDING MULTI-AGONIST PEPTIDES AND METHODS OF MANUFACTURE AND USE IAPP, GPR119, GIPR GSR 491/4885ARG2 154/4885ARG1 471/4885
US-20240150405-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP GSR 3905/4885ARG2 2214/4885ARG1 440/4885
US-20240059753-A1 COMPOSITIONS INCLUDING MULTI-AGONIST PEPTIDES AND METHODS OF MANUFACTURE AND USE IAPP, GPR119, GIPR GSR 491/4885ARG2 154/4885ARG1 471/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GSR 2449/4885ARG2 2310/4885ARG1 756/4885
US-11845808-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases IL23R, IL1RN, VIP GSR 3905/4885ARG2 2214/4885ARG1 440/4885

“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.