SCHEMBL30833107

SCHEMBL30833107

CC(C)(C)OC(=O)N1CCC(c2cc(F)cnc2C(=O)NNC=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL30833127 0.86 ALDH1A1 (0.47) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL30833130 0.86 ALDH1A1 (0.47) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL30833105 0.84 ALDH1A1 (0.47) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL29334889 0.77 OPRK1 (0.45) SMN1; SMN2MAPTGPR119
SCHEMBL31046541 0.77 OPRK1 (0.45) SMN1; SMN2MAPTGPR119
SCHEMBL12211044 0.75 KDM4E (0.47) LMNASMN1; SMN2MAPTKDM4ETHRB
SCHEMBL24330056 0.74 HSD11B1 (0.56) SMN1; SMN2MAPTKDM4ETHRBGPR119
SCHEMBL23842631 0.73 GPR119 (0.57) SMN1; SMN2MAPTKDM4ETHRBGPR119
SCHEMBL12210723 0.73 THRB (0.49) SMN1; SMN2MAPTKDM4ETHRBGPR119
SCHEMBL1464028 0.72 KDM4E (0.48) SMN1; SMN2MAPTKDM4ETHRBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587432-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF Cerevel Therapeutics, LLC (US) 2025-07-23 EP disclosed
WO-2024059249-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-03-21 WO disclosed