SCHEMBL4422111

SCHEMBL4422111

CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.54
MAPT P10636 3/20 0.54
PHGDH O43175 1/20 0.49
STS P08842 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPY2R P49146 1/20 0.46
TACR1 P25103 1/20 0.46
PDK2 Q15119 1/20 0.46
EPHX2 P34913 1/20 0.45
MC4R P32245 1/20 0.45
ENPP2 Q13822 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14453584 0.88 GPR119 (0.55) GPR119MAPTSTSALDH1A1LMNA
SCHEMBL3201936 0.87 HSD11B1 (0.50) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL3923112 0.87 GPR119 (0.54) GPR119MAPTSTSALDH1A1LMNA
SCHEMBL34466519 0.87 ESR2 (0.50) GPR119MAPTALDH1A1LMNANPY2R
SCHEMBL3922455 0.87 GPR119 (0.69) GPR119MAPTPHGDHSTSALDH1A1
SCHEMBL34465971 0.87 HSD11B1 (0.50) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL31142873 0.87 GPR119 (0.69) GPR119MAPTPHGDHSTSALDH1A1
SCHEMBL25168339 0.86 GPR119 (0.46) GPR119MAPTALDH1A1LMNANPY2R
SCHEMBL265716 0.86 NR1H2 (0.51) GPR119MAPTALDH1A1LMNANPY2R
SCHEMBL29665792 0.86 NR1H2 (0.51) GPR119MAPTALDH1A1LMNANPY2R

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 363/4885MAPT 150/4885PHGDH 426/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 GPR119 363/4885MAPT 150/4885PHGDH 426/4885

“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.