SCHEMBL2825901

SCHEMBL2825901

CC(C)CN1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
RET P07949 3/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 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
SCHEMBL1682870 0.83 GAA (0.57) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28918244 0.82 GRIN2D (0.43) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4004900 0.82 PANK3 (0.48) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.82 GRIN2D (0.59) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.82 GRIN2D (0.59) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2744334 0.81 LMNA (0.46) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1476237 0.80 OGA (0.57) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25703965 0.79 UBE2T (0.46) OGARETTLR9TLR8ALDH1A1
SCHEMBL27808002 0.79 GRIN2D (0.44) OGAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24504404 0.78 RET (0.45) RETTLR9TLR8ALDH1A1KDM4E

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 OGA 4679/4885GRIN2D 625/4885GRIN3B 469/4885

“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.