SCHEMBL4693228

SCHEMBL4693228

COCCN(C)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
HDAC4 P56524 1/20 0.52
DRD2 P14416 1/20 0.49
ATR Q13535 1/20 0.46
MLYCD O95822 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TNKS O95271 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ITK Q08881 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
HCAR3 P49019 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL634452 0.88 NAMPT (0.56) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL31003180 0.86 NAMPT (0.52) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL12302019 0.86 NAMPT (0.52) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL4695349 0.85 NAMPT (0.54) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL28506371 0.85 NAMPT (0.51) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL23471013 0.83 NAMPT (0.50) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL23471114 0.82 LOXL2 (0.51) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL749793 0.82 NAMPT (0.49) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL25280673 0.82 NAMPT (0.49) NAMPTHDAC4DRD2ATRMLYCD
SCHEMBL16087963 0.82 NAMPT (0.47) NAMPTHDAC4DRD2ATRMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 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 (1 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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 NAMPT 2955/4885HDAC4 359/4885DRD2 331/4885

“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.