SCHEMBL21603173

SCHEMBL21603173

COc1cc(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
GPR119 Q8TDV5 3/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
USP30 Q70CQ3 4/20 0.42
ALDH1A1 P00352 1/20 0.41
PIK3CA P42336 1/20 0.41
PDE4B Q07343 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
FAAH O00519 1/20 0.39
STS P08842 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
SCHEMBL21603203 1.00 PIK3CD (0.43) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL20281810 1.00 PIK3CD (0.43) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL21605749 0.94 CYP2C9 (0.43) USP30ALDH1A1KDM4E
SCHEMBL21604507 0.94 CYP2C9 (0.43) USP30ALDH1A1KDM4E
SCHEMBL20281825 0.91 PIK3CD (0.47) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL21603175 0.91 PIK3CD (0.47) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL21603190 0.91 PIK3CD (0.47) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL20281798 0.90 PIK3CD (0.46) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL21607866 0.87 LOXL2 (0.42) PIK3CDGPR119IDO1TDO2USP30
SCHEMBL20281615 0.87 LOXL2 (0.42) PIK3CDGPR119IDO1TDO2USP30

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (3 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-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PIK3CD 1988/4885GPR119 1166/4885IDO1 2139/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PIK3CD 1988/4885GPR119 1166/4885IDO1 2139/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PIK3CD 1988/4885GPR119 1166/4885IDO1 2139/4885

“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.