SCHEMBL22438832

SCHEMBL22438832

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
NR1H2 P55055 1/20 0.47
F12 P00748 2/20 0.43
MAPT P10636 3/20 0.42
ESR2 Q92731 1/20 0.42
C5AR1 P21730 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MTOR P42345 1/20 0.38
GRAMD1A Q96CP6 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
SCHEMBL16217171 0.85 MAPT (0.43) ADORA1NR1H2F12MAPTESR2
SCHEMBL16220618 0.85 MAPT (0.43) ADORA1NR1H2F12MAPTESR2
SCHEMBL16579807 0.84 MAPT (0.42) ADORA1NR1H2F12MAPTESR2
SCHEMBL20424298 0.82 DPP4 (0.46) ADORA1NR1H2F12MAPTESR2
SCHEMBL22438669 0.81 MAPT (0.43) ADORA1NR1H2F12MAPTESR2
SCHEMBL16210205 0.81 MAPT (0.40) ADORA1NR1H2F12MAPTESR2
SCHEMBL22438969 0.80 ESR2 (0.42) ADORA1NR1H2F12MAPTESR2
SCHEMBL22438692 0.79 NR1H2 (0.41) ADORA1NR1H2F12MAPTESR2
SCHEMBL22831727 0.79 ESR2 (0.41) ADORA1NR1H2F12MAPTESR2
SCHEMBL22615303 0.78 ADORA1 (0.51) ADORA1NR1H2F12MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS AG (CH) 2021-03-18 US disclosed
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS AG (CH) 2021-03-18 US disclosed
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
EP-3710455-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B Novartis AG (CH) 2020-09-23 EP 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 (2 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-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B XDH, SLC10A1, RORB ADORA1 850/4885NR1H2 25/4885F12 9/4885
US-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B IDO2, IDO1, SLC10A1 ADORA1 1150/4885NR1H2 82/4885F12 1807/4885

“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.