SCHEMBL24429552

SCHEMBL24429552

CCC(C)(C)C1CCC(NC(C)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
TLR4 O00206 1/20 0.34
HSD11B1 P28845 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL14981205 0.85 EPHX1 (0.43) GAAEPHX1EPHX2ATMDRD2
SCHEMBL19645217 0.83 ATM (0.44) GAAATMALDH1A1NPC1RAB9A
SCHEMBL11684591 0.80 EPHX1 (0.48) EPHX1EPHX2ATMDRD2DRD3
SCHEMBL1176981 0.80 EPHX1 (0.63) EPHX1EPHX2ATMDRD2DRD3
SCHEMBL25689877 0.80 EPHX1 (0.63) EPHX1EPHX2ATMDRD2DRD3
SCHEMBL12928722 0.77 EPHX1 (0.46) EPHX1EPHX2ATMDRD2DRD3
SCHEMBL284318 0.77 ATM (0.56) EPHX1EPHX2ATMALDH1A1NPC1
SCHEMBL50350 0.77
SCHEMBL284319 0.77 ATM (0.56) EPHX1EPHX2ATMALDH1A1NPC1
SCHEMBL284342 0.77 ATM (0.56) EPHX1EPHX2ATMALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 GAA 1578/4885EPHX1 542/4885EPHX2 1580/4885

“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.