SCHEMBL4433336

SCHEMBL4433336

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncco3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
GPR119 Q8TDV5 8/20 0.48
WNT3A P56704 1/20 0.48
NAMPT P43490 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
ALK Q9UM73 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
FAAH O00519 1/20 0.46
CYP2C19 P33261 1/20 0.46
CKS1B P61024 1/20 0.46

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
SCHEMBL3486889 0.90 GPR119 (0.64) CHRNA7CHRNA10CHRNA9GPR119FAAH
SCHEMBL1170042 0.83 MEN1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AGPR119
SCHEMBL27025951 0.83 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4422040 0.81 GPR119 (0.65) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5573222 0.81 MAPT (0.76) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1199807 0.81 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL24990320 0.80 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL21584674 0.79 FAAH (0.52) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL21876057 0.79 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13118683 0.79 GPR119 (0.64) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 MAPT 150/4885ALDH1A1 1436/4885LMNA 4719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 MAPT 150/4885ALDH1A1 1436/4885LMNA 4719/4885

“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.