SCHEMBL4694425

SCHEMBL4694425

COCCNC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
HPGD P15428 2/20 0.68
POLB P06746 2/20 0.68
MAPT P10636 3/20 0.61
KMT2A Q03164 4/20 0.54
NPC1 O15118 4/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL5561237 0.90 POLB (0.74) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL5554988 0.87 POLB (0.87) ALDH1A1HPGDPOLBMAPTNPC1
SCHEMBL2056358 0.86 HPGD (0.64) ALDH1A1HPGDPOLBKMT2ANPC1
SCHEMBL10874810 0.85 POLB (0.84) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL7462679 0.85 POLB (0.78) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL13753144 0.85 POLB (0.68) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL14424705 0.85 POLB (0.84) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL23470985 0.85 HPGD (0.73) ALDH1A1HPGDKMT2ANPC1MEN1
SCHEMBL4506194 0.85 ALDH1A1 (0.68) ALDH1A1HPGDMAPTKMT2ANPC1
SCHEMBL757478 0.85 NPC1 (0.73) ALDH1A1HPGDPOLBMAPTKMT2A

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
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP 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
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 ALDH1A1 1586/4885HPGD 617/4885POLB 2494/4885

“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.