SCHEMBL3588482

SCHEMBL3588482

CC(C)(C)OC(=O)CN1CCN(c2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.53
SCN10A Q9Y5Y9 2/20 0.53
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G5 P39877 1/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HDAC1 Q13547 3/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
GRIN1 Q05586 1/20 0.39

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
SCHEMBL13200405 0.87 SCN9A (0.49) SCN9ASCN10ARAB9APLA2G10PLA2G5
SCHEMBL13200416 0.86 SCN9A (0.46) SCN9ASCN10ARAB9APLA2G10PLA2G5
SCHEMBL6283002 0.81 CYP2D6 (0.65) SCN9ASCN10AKMT2APLA2G10PLA2G5
SCHEMBL6282329 0.81 PLA2G10 (0.47) SCN9ASCN10AKMT2APLA2G10PLA2G5
SCHEMBL3582057 0.79 KMT2A (0.61) SCN9AKMT2AMEN1NPC1RAB9A
SCHEMBL766459 0.78 RBP4 (0.57) SCN9ASCN10AKMT2AMEN1KDM4E
SCHEMBL6283587 0.78 LMNA (0.48) SCN9ASCN10AKMT2AMEN1PLA2G10
SCHEMBL14019898 0.76 NPC1 (0.51) SCN9AKMT2AMEN1NPC1RAB9A
SCHEMBL13217676 0.76 SCN9A (0.43) SCN9ASCN10APLA2G10PLA2G5DRD2
SCHEMBL13200403 0.76 SCN9A (0.43) SCN9ASCN10APLA2G10PLA2G5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 SCN9A 1304/4885SCN10A 1290/4885KMT2A 3866/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.