SCHEMBL1760431

SCHEMBL1760431

CC(C)(C)OC(=O)N(N)CC1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
HCRTR2 O43614 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ASGR1 P07306 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
USP30 Q70CQ3 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 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
SCHEMBL1760428 1.00 CA2 (0.41) CA2HCRTR2TMEM97SIGMAR1ASGR1
SCHEMBL1760347 1.00 CA2 (0.41) CA2HCRTR2TMEM97SIGMAR1ASGR1
SCHEMBL8367145 0.84 CA2 (0.39) CA2HCRTR2TMEM97SIGMAR1ASGR1
SCHEMBL1760416 0.79 CA2 (0.44) CA2HCRTR2TMEM97SIGMAR1ALDH1A1
SCHEMBL2238201 0.74 SLC6A4 (0.36)
SCHEMBL13521525 0.73 HSD11B1 (0.33) CA2HCRTR2TMEM97SIGMAR1
SCHEMBL8185362 0.73 HDAC6 (0.35) CA2HCRTR2TMEM97SIGMAR1ASGR1
SCHEMBL28924704 0.72 CA2 (0.41) CA2HCRTR2TMEM97SIGMAR1ALDH1A1
SCHEMBL28924703 0.72 CA2 (0.41) CA2HCRTR2TMEM97SIGMAR1ALDH1A1
SCHEMBL13903965 0.72 CA2 (0.48) CA2HCRTR2TMEM97SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 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-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL CA2 2462/4885HCRTR2 4762/4885TMEM97 1657/4885

“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.