SCHEMBL2829620

SCHEMBL2829620

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
P2RY12 Q9H244 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PANK3 Q9H999 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
VCP P55072 1/20 0.46
OGA O60502 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2848210 0.94 HRH3 (0.48) HRH3L3MBTL1RAB9AP2RY12MAPT
SCHEMBL2828583 0.90 HRH3 (0.46) HRH3L3MBTL1RAB9AMAPTKDM4E
Cyclohexane SCHEMBL2828762 0.83 L3MBTL1 (0.52) HRH3L3MBTL1RAB9AMAPTKDM4E
SCHEMBL2829488 0.81 ALDH1A1 (0.52) HRH3L3MBTL1RAB9AP2RY12MAPT
SCHEMBL2825726 0.80 FGFR3 (0.49) HRH3L3MBTL1RAB9AMAPTKDM4E
SCHEMBL2826663 0.79 PTPN11 (0.54) HRH3L3MBTL1RAB9AP2RY12MAPT
SCHEMBL2829625 0.79 HRH3 (0.54) HRH3L3MBTL1RAB9AMAPTKDM4E
SCHEMBL2826808 0.77 NPC1 (0.53) HRH3L3MBTL1RAB9AMAPTPANK3
SCHEMBL23245962 0.77 HRH3 (0.46) HRH3L3MBTL1RAB9AMAPTKDM4E
SCHEMBL29618380 0.77 HRH3 (0.46) HRH3L3MBTL1RAB9AMAPTKDM4E

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 HRH3 1/4885L3MBTL1 2623/4885RAB9A 2779/4885

“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.