SCHEMBL26913063

SCHEMBL26913063

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 4/20 0.45
NOS1 P29475 3/20 0.45
NOS3 P29474 2/20 0.45
ANPEP P15144 2/20 0.45
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
SLC7A5 Q01650 1/20 0.44
BLM P54132 1/20 0.44
DDAH1 O94760 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
SCHEMBL29485083 0.89 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL14199857 0.86 GSR (0.50) GSRARG2ARG1NOS2NOS1
SCHEMBL9362560 0.84 GRIK1 (0.56) GSRARG2ARG1TSHRSLC1A3
SCHEMBL10286387 0.84 NOD1 (0.52) GSRARG2ARG1NOS1SLC1A3
SCHEMBL10285774 0.84 NOD1 (0.52) GSRARG2ARG1NOS1SLC1A3
SCHEMBL25227671 0.84 GSR (0.52) GSRARG2ARG1NOS2NOS1
SCHEMBL460141 0.84 GRIK1 (0.56) GSRARG2ARG1TSHRSLC1A3
SCHEMBL5859579 0.82 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL13343952 0.82 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL15592476 0.82 GSR (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391828-A1 REGULATORS OF CELL DIVISION TECHNISCHE UNIVERSITAT DRESDEN (DE) 2023-12-07 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 (1 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-20230391828-A1 REGULATORS OF CELL DIVISION PCNA, BOD1L1, MKI67 GSR 3943/4885ARG2 991/4885ARG1 763/4885

“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.