SCHEMBL9899722

SCHEMBL9899722

[2H]C1[C@H](C)CN(C(=O)OC(C)(C)C)[C@]([2H])(CNCc2ccccc2)C1([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 2/20 0.38
HTR6 P50406 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
STS P08842 1/20 0.37
ACHE P22303 1/20 0.37
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL8007362 0.79 JAK2 (0.41) KDM4EPKMATMHDAC8GPR119
SCHEMBL9895211 0.76 NR1H2 (0.40) KMT2ANR1H2
SCHEMBL8651537 0.74 NAMPT (0.61) KDM4EPKMATMBCHEHTR6
SCHEMBL25650104 0.74 OPRD1 (0.52) KDM4EPKMKMT2AL3MBTL1STS
SCHEMBL1682323 0.74 OPRD1 (0.52) KDM4EPKMKMT2AL3MBTL1STS
SCHEMBL17686007 0.74 STS (0.47) KDM4EPKMATMGPR119STS
SCHEMBL496466 0.73 JAK2 (0.39) KDM4EPKMATMKMT2AL3MBTL1
SCHEMBL2933059 0.72 JAK2 (0.41) KDM4EPKMATMKMT2AL3MBTL1
SCHEMBL4067280 0.72 JAK2 (0.41) KDM4EPKMATMKMT2AL3MBTL1
SCHEMBL1338962 0.72 JAK2 (0.41) KDM4EPKMATMKMT2AL3MBTL1

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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 499/4885PKM 3173/4885ATM 4857/4885

“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.