SCHEMBL2829204

SCHEMBL2829204

COCCN(C(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
PDE7A Q13946 2/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
TRPV1 Q8NER1 1/20 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
SCHEMBL4170979 0.86 HRH3 (0.43) HRH3NAMPTKDM2B
SCHEMBL2828740 0.82 HRH3 (0.48) HRH3PDE7ARAB9AL3MBTL1MAPT
SCHEMBL2828172 0.78 HRH3 (0.46) HRH3PDE7ARAB9AL3MBTL1MAPT
SCHEMBL5174330 0.77 HRH3 (0.43) HRH3ALDH1A1HDAC1
SCHEMBL2869768 0.77 HRH3 (0.44) HRH3PDE7ARAB9AL3MBTL1MAPT
SCHEMBL2828731 0.77 HRH3 (0.53) HRH3MAPTKDM4EKDM2BTRPV1
SCHEMBL2827300 0.76 MAPT (0.47) HRH3PDE7ARAB9AL3MBTL1MAPT
SCHEMBL2829488 0.76 ALDH1A1 (0.52) HRH3PDE7ARAB9AL3MBTL1MAPT
SCHEMBL2824587 0.76 MEN1 (0.48) HRH3PDE7ARAB9AL3MBTL1MAPT
Cyclohexane SCHEMBL2824747 0.75 HRH3 (0.50) HRH3PDE7ARAB9AL3MBTL1MAPT

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 5 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
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 1/4885PDE7A 866/4885RAB9A 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.