SCHEMBL2828583

SCHEMBL2828583

CC(C)COC(=O)Nc1ccc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
RET P07949 1/20 0.44
HCK P08631 1/20 0.44
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL2829620 0.90 HRH3 (0.53) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2825726 0.88 FGFR3 (0.49) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2828172 0.84 HRH3 (0.46) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2848210 0.84 HRH3 (0.48) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2847900 0.82 LCK (0.46) HRH3MAPTKDM4ERAB9AL3MBTL1
Cyclohexane SCHEMBL2828762 0.80 L3MBTL1 (0.52) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2854266 0.79 HRH3 (0.43) HRH3MAPTKDM4EABL1LCK
SCHEMBL2826663 0.78 PTPN11 (0.54) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2829625 0.78 HRH3 (0.54) HRH3MAPTKDM4ERAB9AL3MBTL1
SCHEMBL23245962 0.76 HRH3 (0.46) HRH3MAPTKDM4ERAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 HRH3 1/4885MAPT 2111/4885KDM4E 437/4885

“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.