SCHEMBL2824587

SCHEMBL2824587

CCN(C(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTPN11 Q06124 1/20 0.43
HDAC1 Q13547 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 6/20 0.42
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE7A Q13946 1/20 0.41
DGAT1 O75907 2/20 0.40
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.40
SOAT1 P35610 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.40
P2RY12 Q9H244 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4190068 0.86 MEN1 (0.47) MEN1KMT2APTPN11KDM4EHRH3
Cyclohexane SCHEMBL2824747 0.79 HRH3 (0.50) PTPN11HDAC1L3MBTL1MAPTKDM4E
SCHEMBL2830938 0.79 HRH3 (0.50) PTPN11HDAC1L3MBTL1MAPTKDM4E
Cyclopentane SCHEMBL2825703 0.79 HRH3 (0.50) PTPN11HDAC1L3MBTL1MAPTKDM4E
Cyclopropane SCHEMBL2826295 0.79 HRH3 (0.50) PTPN11HDAC1L3MBTL1MAPTKDM4E
SCHEMBL2825546 0.79 WNT3A (0.52) MEN1KMT2AHDAC1MAPTKDM4E
SCHEMBL2826412 0.79 MAPT (0.52) L3MBTL1MAPTKDM4EHRH3ALDH1A1
SCHEMBL2829488 0.78 ALDH1A1 (0.52) L3MBTL1MAPTKDM4EHRH3ALDH1A1
SCHEMBL2827300 0.78 MAPT (0.47) HDAC1L3MBTL1MAPTKDM4EHRH3
SCHEMBL2825707 0.77 HRH3 (0.55) PTPN11HDAC1KDM4EHRH3KCNH2

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
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
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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 MEN1 2620/4885KMT2A 164/4885PTPN11 1826/4885

“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.