SCHEMBL2826503

SCHEMBL2826503

CCN1CCN(c2ccc(CN)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
HRH3 Q9Y5N1 2/20 0.47
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
SLC6A4 P31645 1/20 0.43
MAPT P10636 2/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.41
AOC3 Q16853 3/20 0.41
TMEM97 Q5BJF2 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
SCHEMBL22792059 0.86 KDM4E (0.53) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL22792261 0.84 KDM4E (0.52) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL844082 0.84 GAA (0.52) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL844470 0.84 GAA (0.52) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL13067188 0.84 KDM4E (0.52) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL12675278 0.84 HTR3A (0.47) KDM4EHRH3HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL5009806 0.83 HTR3A (0.46) HRH3HTR1ADRD2DRD4HTR2A
SCHEMBL28765758 0.82 KDM4E (0.50) KDM4EGAAHRH3HTR1ADRD2
SCHEMBL31663034 0.82 GAA (0.53) GAAHRH3HTR1ADRD2DRD4
SCHEMBL10254779 0.82 AOC3 (0.54) MAPTSMN1; SMN2CHRNA7AOC3ALDH1A1

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 8 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
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US 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 KDM4E 437/4885GAA 2915/4885HRH3 1/4885

“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.