SCHEMBL13739622

SCHEMBL13739622

CC(C)(C)OC(=O)N1CCc2c(ccc(N)c2I)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.60
ESR2 Q92731 1/20 0.55
ADORA1 P30542 2/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.45
UCHL1 P09936 1/20 0.43
SCN9A Q15858 1/20 0.41
ACACB O00763 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
F12 P00748 2/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL13012501 0.86 NR1H2 (0.62) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL23684121 0.86 ESR2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL4165540 0.85 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL17018770 0.85 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL31067476 0.85 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL31447559 0.85 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL17018767 0.83 NR1H2 (0.58) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL29526229 0.82 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL394214 0.82 NR1H2 (0.60) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL13740839 0.81 ESR2 (0.51) NR1H2ESR2ADORA1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP NR1H2 2062/4885ESR2 3581/4885ADORA1 3540/4885

“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.