SCHEMBL4426982

SCHEMBL4426982

CC(C)(C)OC(=O)N1CCN(c2cnc(C(N)=O)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
CKS1B P61024 2/20 0.55
SKP1 P63208 2/20 0.55
SKP2 Q13309 2/20 0.55
GPR119 Q8TDV5 8/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAP4K4 O95819 1/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
ADK P55263 1/20 0.44
PTPN11 Q06124 1/20 0.43
RET P07949 1/20 0.43

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
SCHEMBL876797 0.91 CKS1B (0.59) HRH3CKS1BSKP1SKP2GPR119
SCHEMBL881997 0.86 CKS1B (0.54) HRH3CKS1BSKP1SKP2GPR119
Lithium Ion SCHEMBL29134373 0.86 CKS1B (0.54) HRH3CKS1BSKP1SKP2GPR119
SCHEMBL30512314 0.84 CKS1B (0.57) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL1995627 0.84 CKS1B (0.57) CKS1BSKP1SKP2GPR119MAPT
Hydrochloric Acid SCHEMBL30385951 0.84 MAPT (0.56) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL14614610 0.84 CKS1B (0.59) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL23120623 0.82 CKS1B (0.50) HRH3CKS1BSKP1SKP2GPR119
SCHEMBL6052487 0.82 MAP4K4 (0.56) CKS1BSKP1SKP2GPR119MAPT
SCHEMBL3294544 0.82 CKS1B (0.57) CKS1BSKP1SKP2GPR119MAPT

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 HRH3 785/4885CKS1B 4628/4885SKP1 1559/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 HRH3 785/4885CKS1B 4628/4885SKP1 1559/4885

“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.