SCHEMBL216291

SCHEMBL216291

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)c(N)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.52
GPR4 P46093 1/20 0.50
DRD3 P35462 6/20 0.48
DRD2 P14416 3/20 0.47
GPR119 Q8TDV5 3/20 0.45
ACKR3 P25106 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL14453658 0.87 DRD3 (0.54) EPHX2GPR4DRD3DRD2GPR119
SCHEMBL214604 0.86 KDM4E (0.50) EPHX2GPR4DRD3KDM4EALDH1A1
SCHEMBL13320335 0.85 EPHX2 (0.52) EPHX2
SCHEMBL13724597 0.85 EPHX2 (0.58) EPHX2GPR4DRD3DRD2GPR119
SCHEMBL215303 0.84 EPHX2 (0.52) EPHX2DRD2KDM4EALDH1A1
SCHEMBL14453585 0.83 KCNA5 (0.62) EPHX2GPR4DRD3DRD2
SCHEMBL19479118 0.83 DRD3 (0.70) DRD3DRD2ALDH1A1
SCHEMBL20423457 0.83 DRD3 (0.55) EPHX2GPR4DRD3DRD2GPR119
SCHEMBL1284266 0.83 TLR8 (0.51) EPHX2GPR4ACKR3
SCHEMBL214957 0.83 EPHX2 (0.50) EPHX2GPR119

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 EPHX2 2115/4885GPR4 3945/4885DRD3 4551/4885

“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.