SCHEMBL22438692

SCHEMBL22438692

CC(C)(C)OC(=O)N1CCc2noc(N3CCOC3=O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
ESR2 Q92731 1/20 0.39
ADORA1 P30542 2/20 0.39
MAPT P10636 3/20 0.37
C5AR1 P21730 3/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F12 P00748 2/20 0.36
MTOR P42345 3/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PIK3CD O00329 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 0.83 ESR2 (0.42) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL22831727 0.83 ESR2 (0.41) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL22438669 0.81 MAPT (0.43) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL22438832 0.79 ADORA1 (0.47) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL16217171 0.78 MAPT (0.43) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL16220618 0.78 MAPT (0.43) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL20424298 0.77 DPP4 (0.46) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL16579807 0.77 MAPT (0.42) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL16210205 0.74 MAPT (0.40) NR1H2ESR2ADORA1MAPTC5AR1
SCHEMBL20929482 0.72 NR1H2 (0.63) NR1H2ESR2MAPT

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
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-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 (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-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B XDH, SLC10A1, RORB NR1H2 25/4885ESR2 2138/4885ADORA1 850/4885

“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.