SCHEMBL2385780

SCHEMBL2385780

CC(C)(C)OC(=O)N1CCN(c2ccccc2OCc2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.67
SMN1; SMN2 Q16637 1/20 0.57
ACHE P22303 1/20 0.50
TLR9 Q9NR96 3/20 0.49
TLR7 Q9NYK1 2/20 0.49
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47

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
SCHEMBL5339319 0.91 HTR1A (0.55) GPR119ACHETLR9TLR7CKS1B
SCHEMBL2385047 0.87 GPR119 (0.64) GPR119ACHETLR9TLR7CKS1B
SCHEMBL5346345 0.83 SMN1; SMN2 (0.47) GPR119SMN1; SMN2ACHETLR9TLR7
SCHEMBL4921870 0.82 HTR6 (0.61) GPR119ACHETLR9TLR7CKS1B
SCHEMBL2386443 0.81 GPR119 (0.68) GPR119ACHETLR9TLR7
SCHEMBL8139691 0.80 TSHR (0.54) GPR119SMN1; SMN2ACHECKS1BSKP1
SCHEMBL1448446 0.80 GPR119 (1.00) GPR119
SCHEMBL2384061 0.80 GPR119 (0.63) GPR119ACHETLR9TLR7
SCHEMBL5373351 0.79 SMARCA2 (0.50) GPR119SMN1; SMN2ACHECKS1BSKP1
SCHEMBL5338019 0.79 L3MBTL1 (0.57) GPR119SMN1; SMN2ACHECKS1BSKP1

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 8 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-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
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 686/4885SMN1; SMN2 3129/4885ACHE 3013/4885

“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.