SCHEMBL2383134

SCHEMBL2383134

CC(C)(C)OC(=O)N1CCN(c2nc(C#N)c(C#N)nc2OCc2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.59
HRH4 Q9H3N8 1/20 0.46
TLR9 Q9NR96 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
ACHE P22303 1/20 0.43
PGGT1B P53609 1/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL12251234 0.90 GPR119 (0.53) GPR119HRH4TLR9TLR7ACHE
SCHEMBL2386443 0.84 GPR119 (0.68) GPR119HRH4TLR9TLR7ACHE
SCHEMBL2384061 0.80 GPR119 (0.63) GPR119HRH4TLR9TLR7ACHE
SCHEMBL12302898 0.77 HRH4 (0.49) HRH4
SCHEMBL2384019 0.77 TRPV1 (0.44)
SCHEMBL2385264 0.77 GPR119 (0.59) GPR119TLR9TLR7ACHE
SCHEMBL2385047 0.77 GPR119 (0.64) GPR119TLR9TLR7ACHEGBA1
SCHEMBL12269830 0.76 GPR119 (0.48) GPR119
SCHEMBL2383866 0.75 TRPV1 (0.51)
SCHEMBL2382807 0.74 NR1H2 (0.46) GPR119TLR9GBA1

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-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 686/4885HRH4 2917/4885TLR9 2347/4885

“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.