SCHEMBL13726322

SCHEMBL13726322

CC(C)(C)OC(=O)N(CCOS(C)(=O)=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
LTA4H P09960 6/20 0.51
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NOX1 Q9Y5S8 2/20 0.44
RORC P51449 1/20 0.44
AR P10275 1/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL3635901 0.86 LTA4H (0.56) LMNAPOLBMAPTHTTLTA4H
SCHEMBL6717933 0.86 LTA4H (0.58) LMNAPOLBMAPTHTTLTA4H
SCHEMBL8302564 0.79 MEN1 (0.51) LMNAMAPTLTA4HRAB9ASMN1; SMN2
SCHEMBL8542598 0.75 L3MBTL1 (0.41) LMNAALDH1A1CA12CA1
SCHEMBL3823095 0.74 LTA4H (0.62) LMNAPOLBMAPTHTTLTA4H
SCHEMBL25604063 0.73 HSD17B10 (0.48) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2987817 0.73 RAB9A (0.74) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7468687 0.72 ALDH1A1 (0.53) LMNAMAPTLTA4HRAB9ASMN1; SMN2
SCHEMBL3017819 0.72 LTA4H (0.68) LMNAPOLBMAPTHTTLTA4H
SCHEMBL7857951 0.71 PSMB5 (0.46) LMNAPOLBMAPTHTTRAB9A

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-1904484-B1 COMPOUNDS GLAXO GROUP LTD (GB) 2009-08-26 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-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 US disclosed
US-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 US disclosed
WO-2007009739-A1 COMPOUNDS 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 (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-20080207638-A1 Compounds CMA1, MRGPRX2, HRH2 LMNA 2529/4885POLB 3167/4885MAPT 1387/4885
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 LMNA 3821/4885POLB 2494/4885MAPT 2812/4885

“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.