SCHEMBL23465320

SCHEMBL23465320

NC1(C(=O)O)CCC2NCCCC21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
ARG1 P05089 9/20 0.35
ARG2 P78540 5/20 0.35
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL8713792 0.72 MEN1 (0.32) MEN1BLMKMT2A
SCHEMBL20036523 0.71 MAPT (0.34)
SCHEMBL15062900 0.67 ARG1 (0.42) GRM8GRM6GRM2GRM3ARG1
SCHEMBL28686657 0.67 ARG1 (0.42) GRM8GRM6GRM2GRM3ARG1
SCHEMBL8610112 0.67 MAPT (0.32)
SCHEMBL2562686 0.66 GRM2 (0.50) GRM8GRM6GRM2GRM3GRM1
SCHEMBL25662353 0.66 GRM2 (0.50) GRM8GRM6GRM2GRM3GRM1
SCHEMBL8442483 0.62
SCHEMBL25660688 0.62
SCHEMBL25662364 0.62

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-20210163505-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-06-03 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-20210163505-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 GRM8 2995/4885GRM6 2313/4885GRM2 1995/4885

“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.