SCHEMBL25201144

SCHEMBL25201144

CC(C)(C)OC(=O)N1C2CNCC(C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
NR1H2 P55055 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PREP P48147 3/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CTSK P43235 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3935909 0.85 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL14410734 0.85 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL402018 0.85 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL24762766 0.85 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2USP2
Hydrochloric Acid SCHEMBL30005366 0.84 CHRM2 (0.57) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL30853292 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL23807724 0.78 CHRM2 (0.64) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL25191657 0.78 CHRM2 (0.46) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL22569401 0.78 CHRM2 (0.64) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL21219895 0.78 CHRM2 (0.64) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
EP-4430036-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2024-09-18 EP disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed