SCHEMBL2828172

SCHEMBL2828172

CC(C)COC(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PDE7A Q13946 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL2854266 0.94 HRH3 (0.43) HRH3MAPTKDM4EALDH1A1PDE7A
SCHEMBL2829488 0.89 ALDH1A1 (0.52) HRH3MAPTKDM4EALDH1A1PDE7A
SCHEMBL2828740 0.86 HRH3 (0.48) HRH3MAPTKDM4EALDH1A1PDE7A
SCHEMBL4169766 0.85 GRIN2D (0.47) HRH3ALDH1A1ABL1LCKRET
SCHEMBL2828583 0.84 HRH3 (0.46) HRH3MAPTKDM4EALDH1A1ABL1
SCHEMBL2857095 0.83 ALDH1A1 (0.47) HRH3MAPTKDM4EALDH1A1PDE7A
SCHEMBL2825726 0.83 FGFR3 (0.49) HRH3MAPTKDM4EALDH1A1TRPV1
SCHEMBL2869768 0.81 HRH3 (0.44) HRH3MAPTKDM4EALDH1A1PDE7A
SCHEMBL4947165 0.80 GRIN2D (0.43) HRH3ALDH1A1ABL1LCKRET
SCHEMBL2827300 0.80 MAPT (0.47) HRH3MAPTKDM4EALDH1A1PDE7A

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.