SCHEMBL21553586

SCHEMBL21553586

N[C@@H](CCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.55
GRM4 Q14833 1/20 0.55
GRB2 P62993 1/20 0.54
KIF11 P52732 5/20 0.52
TAAR1 Q96RJ0 1/20 0.50
PTPN1 P18031 1/20 0.50
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK3 Q13003 1/20 0.49
FDFT1 P37268 2/20 0.46
FFAR1 O14842 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAOB P27338 1/20 0.45
TPH1 P17752 1/20 0.44

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
SCHEMBL22444936 1.00 GRM8 (0.55) GRM8GRM4GRB2KIF11TAAR1
SCHEMBL25183013 0.90 GRM8 (0.52) GRM8GRM4GRB2KIF11TAAR1
SCHEMBL16542431 0.90 GRM8 (0.52) GRM8GRM4GRB2KIF11TAAR1
SCHEMBL24815919 0.88 HDAC1 (0.51) GRM8GRM4GRB2KIF11TAAR1
SCHEMBL21447943 0.83 KIF11 (0.52) GRB2KIF11GRIK1GRIK2GRIA1
SCHEMBL22996120 0.83 KIF11 (0.52) GRB2KIF11GRIK1GRIK2GRIA1
SCHEMBL148122 0.83 GRB2 (0.76) GRM8GRM4GRB2KIF11PTPN1
SCHEMBL43861 0.83 GRB2 (0.76) GRM8GRM4GRB2KIF11PTPN1
SCHEMBL43862 0.83 GRB2 (0.76) GRM8GRM4GRB2KIF11PTPN1
SCHEMBL27739671 0.83 TAAR1 (0.46) GRM8GRM4GRB2KIF11TAAR1

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
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 EP disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 GRM8 4079/4885GRM4 4680/4885GRB2 2964/4885

“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.