SCHEMBL2385047

SCHEMBL2385047

CC(C)(C)OC(=O)N1CCN(c2ncccc2OCc2ccncc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.64
TLR9 Q9NR96 4/20 0.50
TLR7 Q9NYK1 2/20 0.50
POLB P06746 1/20 0.48
KIT P10721 1/20 0.46
GBA1 P04062 1/20 0.46
ACHE P22303 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 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
SCHEMBL2385780 0.87 GPR119 (0.67) GPR119TLR9TLR7ACHECKS1B
SCHEMBL2386443 0.86 GPR119 (0.68) GPR119TLR9TLR7KITACHE
SCHEMBL31651589 0.85 POLB (0.53) GPR119POLBKITGBA1ACHE
SCHEMBL31651638 0.84 POLB (0.52) GPR119TLR9TLR7POLBKIT
SCHEMBL11359476 0.83 POLB (0.55) GPR119TLR9TLR7POLBKIT
SCHEMBL31651776 0.83 POLB (0.53) GPR119TLR9TLR7POLBKIT
SCHEMBL2384061 0.82 GPR119 (0.63) GPR119TLR9TLR7KITGBA1
SCHEMBL3882026 0.82 GPR119 (0.54) GPR119POLBKITGBA1ACHE
SCHEMBL31651904 0.81 GPR119 (0.53) GPR119POLBKITGBA1
SCHEMBL2719501 0.81 ACHE (0.45) GPR119TLR9TLR7POLBKIT

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-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR GPR119 686/4885TLR9 2347/4885TLR7 3057/4885

“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.