SCHEMBL2829488

SCHEMBL2829488

CCOC(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HRH3 Q9Y5N1 6/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DGAT1 O75907 5/20 0.46
PDE7A Q13946 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RY12 Q9H244 1/20 0.45
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 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
SCHEMBL2857095 0.94 ALDH1A1 (0.47) ALDH1A1HRH3MAPTKDM4EDGAT1
SCHEMBL2828740 0.89 HRH3 (0.48) ALDH1A1HRH3MAPTKDM4EDGAT1
SCHEMBL2828172 0.89 HRH3 (0.46) ALDH1A1HRH3MAPTKDM4EPDE7A
SCHEMBL2825729 0.84 KDM4E (0.56) ALDH1A1MAPTKDM4EDGAT1RAB9A
Cyclohexane SCHEMBL2824747 0.84 HRH3 (0.50) ALDH1A1HRH3MAPTKDM4EDGAT1
Cyclopentane SCHEMBL2825703 0.84 HRH3 (0.50) ALDH1A1HRH3MAPTKDM4EDGAT1
SCHEMBL2830938 0.84 HRH3 (0.50) ALDH1A1HRH3MAPTKDM4EDGAT1
Cyclopropane SCHEMBL2826295 0.84 HRH3 (0.50) ALDH1A1HRH3MAPTKDM4EDGAT1
SCHEMBL2826412 0.83 MAPT (0.52) ALDH1A1HRH3MAPTKDM4EPDE7A
SCHEMBL2869768 0.83 HRH3 (0.44) ALDH1A1HRH3MAPTKDM4EDGAT1

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 ALDH1A1 586/4885HRH3 1/4885MAPT 2111/4885

“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.