SCHEMBL216209

SCHEMBL216209

CC(C)(C)OC(=O)N1CCC(COc2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
GPR119 Q8TDV5 11/20 0.48
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
F2 P00734 1/20 0.44
HDAC1 Q13547 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 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
SCHEMBL22348727 0.90 ALDH1A1 (0.42) CHEK2GPR119ALDH1A1LMNAMAPT
SCHEMBL214227 0.87 NPC1 (0.53) CHEK2GPR119SLC2A1ALDH1A1LMNA
SCHEMBL21632980 0.86 CHEK2 (0.51) CHEK2GPR119SLC2A1F2HDAC1
SCHEMBL215733 0.86 CHEK2 (0.54) CHEK2GPR119SLC2A1HDAC1ALOX5AP
SCHEMBL2492025 0.86 GPR119 (0.56) CHEK2GPR119SLC2A1F2
SCHEMBL215401 0.85 SIGMAR1 (0.48) ALDH1A1LMNAF2SIGMAR1
SCHEMBL2735457 0.85 SIGMAR1 (0.60) CHEK2GPR119ALDH1A1LMNAMAPT
SCHEMBL215338 0.85 GPR119 (0.54) CHEK2GPR119ALDH1A1LMNAMAPT
SCHEMBL215986 0.84 CHEK2 (0.52) CHEK2GPR119SLC2A1HDAC1ALOX5AP
SCHEMBL26378415 0.84 CHRNB4 (0.54) CHEK2GPR119SLC2A1ALDH1A1LMNA

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 CHEK2 412/4885GPR119 2016/4885SLC2A1 3357/4885

“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.