SCHEMBL31332794

SCHEMBL31332794

CCn1cnc(C2(C(F)(F)F)CC2)c1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR4A2 P43354 1/20 0.32
CYP11B2 P19099 1/20 0.32
BRD4 O60885 1/20 0.32
ADRB3 P13945 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RORC P51449 2/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
GAA P10253 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
SCHEMBL31332925 0.77 CNR2 (0.35) NR4A2CYP11B2BRD4ADRB3TMEM97
SCHEMBL31332933 0.73 CNR2 (0.30)
SCHEMBL12724434 0.72 ALDH1A1 (0.41) NR4A2BRD4GAA
SCHEMBL31332808 0.71 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2NR4A2BRD4
SCHEMBL31333053 0.71 NR4A2 (0.38) NR4A2CYP11B2BRD4
SCHEMBL31332845 0.71 NR4A2 (0.38) NPC1RAB9ANR4A2BRD4GAA
SCHEMBL31333016 0.71 NR4A2 (0.38) NR4A2CYP11B2BRD4
SCHEMBL31332892 0.71 NR4A2 (0.35) NR4A2CYP11B2BRD4
SCHEMBL31332885 0.71 CNR2 (0.30)
SCHEMBL31332848 0.70 RAD52 (0.38) NR4A2BRD4GAA

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 NPC1 185/4885RAB9A 1666/4885SMN1; SMN2 184/4885

“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.