SCHEMBL20364339

SCHEMBL20364339

CC(C)(C)OC(=O)N1CCc2c(ccc(OC=O)c2F)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NR1H2 P55055 1/20 0.50
MAPK1 P28482 1/20 0.42
ACACB O00763 1/20 0.42
UCHL1 P09936 1/20 0.41
ABHD6 Q9BV23 2/20 0.40
ADORA1 P30542 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN9A Q15858 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPGDS O60760 1/20 0.37
NAMPT P43490 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL29390809 0.84 ESR2 (0.53) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL22981735 0.84 ESR2 (0.53) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL29405503 0.81 ESR2 (0.55) ESR2NR1H2MAPK1UCHL1ABHD6
SCHEMBL19642882 0.81 ESR2 (0.55) ESR2NR1H2MAPK1UCHL1ABHD6
SCHEMBL31067476 0.81 NR1H2 (0.60) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL4165540 0.81 NR1H2 (0.60) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL20367262 0.80 ESR2 (0.54) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL22993252 0.79 ESR2 (0.53) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL29391455 0.79 ESR2 (0.53) ESR2NR1H2MAPK1ACACBUCHL1
SCHEMBL30406062 0.78 ESR2 (0.52) ESR2NR1H2MAPK1ACACBUCHL1

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-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 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-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ESR2 620/4885NR1H2 313/4885MAPK1 723/4885

“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.