SCHEMBL31398583

SCHEMBL31398583

CC(C)(C)OC(=O)N1CC[C@]2(CNC(=O)c3cc(F)ccc3O2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
GPR119 Q8TDV5 7/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC2 Q92769 3/20 0.40
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
RORC P51449 3/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL31398585 1.00 HSD11B1 (0.43) HSD11B1GPR119HRH3HDAC2CHRNA7
SCHEMBL31398588 1.00 HSD11B1 (0.43) HSD11B1GPR119HRH3HDAC2CHRNA7
SCHEMBL1690779 0.82 HSD11B1 (0.60) HSD11B1GPR119HDAC2KMT2AHDAC1
SCHEMBL31398597 0.81 HSD11B1 (0.47) HSD11B1HDAC2CHRNA7KMT2AHDAC1
SCHEMBL31398596 0.81 HSD11B1 (0.47) HSD11B1HDAC2CHRNA7KMT2AHDAC1
SCHEMBL30094665 0.81 HSD11B1 (0.51) HSD11B1HDAC2CHRNA7KMT2AHDAC1
SCHEMBL12262158 0.78 HSD11B1 (0.56) HSD11B1GPR119HDAC2KMT2AHDAC1
SCHEMBL19029980 0.78 GPR119 (0.45) HSD11B1GPR119HRH3HDAC2HDAC1
SCHEMBL23024360 0.77 HDAC2 (0.48) HSD11B1GPR119HDAC2KMT2AHDAC1
SCHEMBL8152684 0.77 USP2 (0.40) GPR119KMT2A

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-4731613-A1 SPIROCYCLIC PARP INHIBITORS AND METHODS OF USE Valo Health, Inc. (US) 2026-04-29 EP disclosed
WO-2024261710-A1 SPIROCYCLIC PARP INHIBITORS AND METHODS OF USE VALO HEALTH, INC. (US) 2024-12-26 WO disclosed