SCHEMBL1285563

SCHEMBL1285563

COc1c(F)ccc(NC(=O)C(C)(C)C)c1CC(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.38
PDK2 Q15119 5/20 0.38
PDK3 Q15120 5/20 0.38
PDK4 Q16654 5/20 0.38
KDM4E B2RXH2 3/20 0.37
ALOX12 P18054 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CETP P11597 1/20 0.34
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEP1B Q16820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31355572 0.82 KDM4E (0.37) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL4622913 0.82 KDM4E (0.37) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1284990 0.77 KDM4E (0.53) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL30223299 0.76 KDM4E (0.40) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1980340 0.76 KDM4E (0.40) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL31596297 0.76 PDK1 (0.39) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL24073391 0.73 LMNA (0.39) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL30223290 0.73 LMNA (0.39) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL30937617 0.72 ALDH1A1 (0.41) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL31567716 0.69 PDK1 (0.57) PDK1PDK2PDK3PDK4

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
EP-2443108-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS Ferrer Internacional, S.A. (ES) 2012-04-25 EP disclosed
US-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 US disclosed
US-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 US disclosed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP disclosed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP disclosed
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO disclosed
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 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-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS MTNR1A, MTNR1B, TPH2 PDK1 2221/4885PDK2 836/4885PDK3 1557/4885

“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.