SCHEMBL8007362

SCHEMBL8007362

C[C@H]1CC[C@@H](CNCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
ABCB1 P08183 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
METTL3 Q86U44 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
NR1D1 P20393 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACHE P22303 1/20 0.39
NAMPT P43490 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL17686007 0.86 STS (0.47) STSKDM4EPKMATMNR1H2
SCHEMBL4304594 0.85 CXCR4 (0.44) KDM4EPKMNR1D1HDAC8
SCHEMBL1682323 0.84 OPRD1 (0.52) STSKDM4EPKMMETTL3LMNA
SCHEMBL25650104 0.84 OPRD1 (0.52) STSKDM4EPKMMETTL3LMNA
SCHEMBL28111647 0.79 STS (0.43) JAK2JAK1STSKDM4EPKM
SCHEMBL9899722 0.79 KDM4E (0.39) STSKDM4EPKMATMNR1H2
SCHEMBL8651537 0.77 NAMPT (0.61) JAK2JAK1STSKDM4EPKM
SCHEMBL496466 0.77 JAK2 (0.39) JAK2JAK1STSKDM4EPKM
SCHEMBL16080305 0.76 NR1H2 (0.51) JAK2JAK1STSABCB1NR1H2
SCHEMBL2933059 0.76 JAK2 (0.41) JAK2JAK1STSKDM4EPKM

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 5 patents. 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
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
WO-2009124956-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2009-10-15 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 (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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR JAK2 2728/4885JAK1 4829/4885STS 4388/4885
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R JAK2 2701/4885JAK1 3704/4885STS 4162/4885

“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.