SCHEMBL217021

SCHEMBL217021

CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.54
HRH3 Q9Y5N1 1/20 0.47
CHEK2 O96017 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
STS P08842 2/20 0.43

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
SCHEMBL27087822 0.92 GPR119 (0.54) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL214982 0.88 GPR119 (0.55) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL2491113 0.87 GPR119 (0.63) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL4402806 0.87 GPR119 (0.54) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL2825514 0.86 GPR119 (0.53) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL1447329 0.86 GPR119 (0.54) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL12041715 0.85 GPR119 (0.53) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL21633387 0.85 GPR119 (0.53) GPR119HRH3CHEK2ALDH1A1LMNA
SCHEMBL3282383 0.85 GPR119 (0.59) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL215338 0.85 GPR119 (0.54) GPR119HRH3CHEK2ALDH1A1LMNA

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 7 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
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 GPR119 2016/4885HRH3 1553/4885CHEK2 412/4885

“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.