SCHEMBL31404503

SCHEMBL31404503

CC(C)(C)OC(=O)N1CC(O)CC1CN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 1/20 0.41
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
PIK3CD O00329 1/20 0.35
SRC P12931 4/20 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
SCHEMBL24272403 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL31340378 1.00 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL8267989 0.88 CYP1A2 (0.43) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL2526553 0.88 NR1H2 (0.41) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL2523332 0.88 NR1H2 (0.41) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL12213289 0.88 NR1H2 (0.41) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1722772 0.86 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL12235723 0.86 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL5155598 0.86 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL15909556 0.86 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025045761-A1 MOLECULAR GLUE DEGRADERS AND USES THEREOF MABLINK BIOSCIENCE (FR) 2025-03-06 WO disclosed
WO-2025045758-A1 ANTIBODY-DRUG CONJUGATES BASED ON MOLECULAR GLUE DEGRADERS AND USES THEREOF MABLINK BIOSCIENCE (FR) 2025-03-06 WO disclosed
EP-4512806-A1 MOLECULAR GLUE DEGRADERS AND USES THEREOF Mablink Bioscience (FR) 2025-02-26 EP disclosed
EP-4512427-A1 ANTIBODY-DRUG CONJUGATES BASED ON MOLECULAR GLUE DEGRADERS AND USES THEREOF Mablink Bioscience (FR) 2025-02-26 EP disclosed