SCHEMBL31332893

SCHEMBL31332893

COC(=O)c1ncn(C2COC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
OPRK1 P41145 6/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
TGFBR1 P36897 2/20 0.32
ELANE P08246 1/20 0.32
LRRK2 Q5S007 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 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
SCHEMBL31332895 0.80 OPRK1 (0.33) NPSR1OPRK1ALDH1A1KDM4EHPGD
SCHEMBL31332852 0.75 ALDH1A1 (0.32) NPSR1ALDH1A1KDM4EHPGDALOX15
SCHEMBL19737998 0.72 NPSR1 (0.43) NPSR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL24596265 0.68 NPSR1 (0.39) NPSR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL29789969 0.68 NPSR1 (0.39) NPSR1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL31728480 0.68 TMEM97 (0.50) NPSR1ALDH1A1LRRK2SMN1; SMN2
SCHEMBL31133209 0.68 MAPK1 (0.39) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24596346 0.67 NPSR1 (0.38) NPSR1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL25372982 0.66 ALDH1A1 (0.38) OPRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30455948 0.65 MAP3K5 (0.37) TGFBR1

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 NPSR1 917/4885OPRK1 130/4885ALDH1A1 2748/4885

“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.