SCHEMBL25201897

SCHEMBL25201897

CC(C)(C)OC(=O)N1C2C=CC(C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.39
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
PREP P48147 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL6708895 0.80 HTR2C (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL10970531 0.77 TSHR (0.40) USP2SMN1; SMN2MEN1KMT2A
SCHEMBL1721478 0.76 CHRM2 (0.53) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1100523 0.73 GAA (0.38) SMN1; SMN2MAPTTHRB
SCHEMBL30798125 0.73 CHRM2 (0.50) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1711301 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL1711248 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL6097554 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL12275013 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL23043145 0.73 CHRM2 (0.50) CHRM2CHRM1CHRM3NR1H2USP2

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
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
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