SCHEMBL22831727

SCHEMBL22831727

CC(C)(C)OC(=O)N1CCc2noc(N3CCCCC3=O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.41
ADORA1 P30542 2/20 0.39
MAPT P10636 3/20 0.37
C5AR1 P21730 3/20 0.37
F12 P00748 2/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL22438969 0.97 ESR2 (0.42) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL22438669 0.85 MAPT (0.43) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL22438692 0.83 NR1H2 (0.41) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL23106750 0.82 PARP1 (0.34) ESR2NR1H2PARP1
SCHEMBL22438832 0.79 ADORA1 (0.47) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL23106609 0.79 NR1H2 (0.33) ESR2NR1H2PARP1
SCHEMBL16220618 0.78 MAPT (0.43) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL16217171 0.78 MAPT (0.43) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL20424298 0.77 DPP4 (0.46) ESR2NR1H2ADORA1MAPTC5AR1
SCHEMBL16579807 0.77 MAPT (0.42) ESR2NR1H2ADORA1MAPTC5AR1

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-3759110-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B Novartis AG (CH) 2021-01-06 EP disclosed
US-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-12-31 US disclosed
US-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-12-31 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-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B IDO2, IDO1, SLC10A1 ESR2 1219/4885NR1H2 82/4885ADORA1 1150/4885

“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.