SCHEMBL30782832

SCHEMBL30782832

CN(CC1CCOc2c(-c3ccc(C#N)cc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
IDH1 O75874 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
CHRM3 P20309 1/20 0.32
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KCNA5 P22460 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MMP2 P08253 1/20 0.31
ABCB1 P08183 2/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL30782831 1.00 GPR119 (0.36) GPR119JAK2JAK3PTK2BRD4
SCHEMBL29923155 0.88 BRD4 (0.36) JAK2JAK3PTK2BRD4CREBBP
SCHEMBL27214590 0.86 BRD4 (0.34) GPR119BRD4CREBBPKDM4C
SCHEMBL27231219 0.86 BRD4 (0.34) GPR119BRD4CREBBPKDM4C
SCHEMBL27214554 0.86 BRD4 (0.34) GPR119BRD4CREBBPKDM4C
SCHEMBL29923158 0.84 SCN9A (0.34) BRD4CREBBPKDM4C
SCHEMBL29923313 0.83 GPR119 (0.33) GPR119BRD4CREBBPKDM4C
SCHEMBL30782874 0.83 CYP11B2 (0.41) GPR119CYP11B1CYP11B2
SCHEMBL29923604 0.83 KCNH2 (0.34) BRD4CREBBPKDM4C
SCHEMBL29923582 0.83 GPR119 (0.35) GPR119BRD4CREBBPKDM4C

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-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed