SCHEMBL4422040

SCHEMBL4422040

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnco3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.65
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.47
NAMPT P43490 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
CYP2C19 P33261 1/20 0.46
ESR2 Q92731 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL27025951 0.85 MAPT (0.58) GPR119SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL31185086 0.84 GPR119 (0.56) GPR119SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL25189998 0.84 GPR119 (0.56) GPR119SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL4433336 0.81 MAPT (0.54) GPR119SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5573222 0.81 MAPT (0.76) GPR119SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL16999285 0.79 GPR119 (1.00) GPR119
SCHEMBL21876057 0.79 MAPT (0.62) GPR119SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL24990320 0.78 MAPT (0.61) GPR119SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25194247 0.78 GPR119 (0.53) GPR119SMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL5542227 0.77 GPR119 (0.65) GPR119SMN1; SMN2MAPTALDH1A1LMNA

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-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (2 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 GPR119 363/4885SMN1; SMN2 1268/4885L3MBTL1 2359/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 GPR119 363/4885SMN1; SMN2 1268/4885L3MBTL1 2359/4885

“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.