SCHEMBL2333786

SCHEMBL2333786

CC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.58
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
PDK2 Q15119 1/20 0.52
PARP14 Q460N5 1/20 0.51
KMT2A Q03164 2/20 0.50
NAMPT P43490 1/20 0.49
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.47
ESRRA P11474 1/20 0.47
ESRRG P62508 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
SCHEMBL6495092 0.90 PARP14 (0.59) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL62718 0.90 ALDH1A1 (0.58) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL30083267 0.90 ALDH1A1 (0.58) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL31017510 0.87 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL13033394 0.87 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL23228892 0.86 GPR119 (0.55) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL6413155 0.86 GPR119 (0.55) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL22396684 0.85 GPR119 (0.54) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL29475574 0.85 GPR119 (0.62) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL25317395 0.85 GPR119 (0.62) GPR119MAPTALDH1A1LMNAPDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (3 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 GPR119 892/4885MAPT 4536/4885ALDH1A1 1433/4885
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 GPR119 320/4885MAPT 441/4885ALDH1A1 1381/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 GPR119 873/4885MAPT 4234/4885ALDH1A1 1754/4885

“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.