SCHEMBL2826412

SCHEMBL2826412

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
PDE7A Q13946 2/20 0.47
HRH3 Q9Y5N1 6/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
OPRK1 P41145 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
SCHEMBL2827300 0.83 MAPT (0.47) MAPTKDM4EALDH1A1RAB9ATP53
SCHEMBL2829488 0.83 ALDH1A1 (0.52) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4177530 0.83 MAPT (0.53) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2826534 0.83 HRH3 (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2HRH3
SCHEMBL2825546 0.83 WNT3A (0.52) MAPTKDM4EALDH1A1RAB9ANPC1
Cyclopropane SCHEMBL2826295 0.82 HRH3 (0.50) MAPTKDM4EALDH1A1RAB9APDE7A
Cyclohexane SCHEMBL2824747 0.82 HRH3 (0.50) MAPTKDM4EALDH1A1RAB9APDE7A
Cyclopentane SCHEMBL2825703 0.82 HRH3 (0.50) MAPTKDM4EALDH1A1RAB9APDE7A
SCHEMBL2830938 0.82 HRH3 (0.50) MAPTKDM4EALDH1A1RAB9APDE7A
SCHEMBL2829430 0.82 HRH3 (0.51) MAPTKDM4EALDH1A1HRH3GAA

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 MAPT 2111/4885KDM4E 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.