SCHEMBL2825546

SCHEMBL2825546

O=C(Cc1ccccc1)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.50
NR4A1 P22736 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
SLC2A1 P11166 1/20 0.48
MCL1 Q07820 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL2829430 0.91 HRH3 (0.51) WNT3AKDM4EALDH1A1MAPTHRH3
SCHEMBL2824642 0.86 MAPT (0.53) KDM4EMAPTSMN1; SMN2HRH3MEN1
SCHEMBL2825707 0.85 HRH3 (0.55) KDM4EALDH1A1RAB9ASMN1; SMN2HRH3
SCHEMBL2827886 0.84 HRH3 (0.53) WNT3AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4181874 0.84 KDM4E (0.50) KDM4EALDH1A1MAPTNR4A1NPC1
SCHEMBL21286267 0.83 RAB9A (0.68) WNT3AKDM4EALDH1A1MAPTNR4A1
Cyclopropane SCHEMBL2826295 0.83 HRH3 (0.50) KDM4EALDH1A1MAPTRAB9AHRH3
Cyclohexane SCHEMBL2824747 0.83 HRH3 (0.50) KDM4EALDH1A1MAPTRAB9AHRH3
Cyclopentane SCHEMBL2825703 0.83 HRH3 (0.50) KDM4EALDH1A1MAPTRAB9AHRH3
SCHEMBL2830938 0.83 HRH3 (0.50) KDM4EALDH1A1MAPTRAB9AHRH3

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 11 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
CN-101068786-A 3-substituted pyridine derivatives as h3 antagonists HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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
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 WNT3A 1874/4885KDM4E 437/4885ALDH1A1 586/4885

“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.