SCHEMBL31332946

SCHEMBL31332946

CCCc1ncn(C)c1CO

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
PDE4A P27815 5/20 0.34
ADORA2A P29274 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA2B P29275 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24662495 0.84 APOBEC3A (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL12569981 0.84 ALDH1A1 (0.32) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL31332993 0.81 GABRB3 (0.35) GABRB3GABRA2GABRB2PDE4AADORA2A
SCHEMBL21486293 0.76 APOBEC3A (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL858828 0.74
SCHEMBL2397441 0.71
SCHEMBL14709943 0.69
SCHEMBL22256694 0.69
SCHEMBL12824833 0.69 PDE4A (0.35) GABRB3PDE4AADORA2APDE4BPDE4C
SCHEMBL31332916 0.68 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2

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
EP-4709374-A2 KCC2 POTENTIATORS AND USES THEREOF Axonis Therapeutics, Inc. (US) 2026-03-18 EP disclosed
US-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS INC (US) 2026-03-05 US disclosed
WO-2024233885-A2 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. (US) 2024-11-14 WO 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-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF HCN2, HCN1, HCN4 GABRB3 355/4885GABRA2 354/4885GABRB2 269/4885

“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.