SCHEMBL2829635

SCHEMBL2829635

NC(=O)c1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.73
HDAC1 Q13547 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
KDM1A O60341 1/20 0.50
UBE2T Q9NPD8 1/20 0.50
PARP1 P09874 1/20 0.48
SMO Q99835 1/20 0.47

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
SCHEMBL14027177 0.86 HRH3 (0.64) HRH3OPRM1OPRK1KDM1AUBE2T
SCHEMBL14843925 0.85 HRH3 (1.00) HRH3
SCHEMBL25318165 0.85 HRH3 (0.58) HRH3HDAC1OPRM1OPRK1KDM1A
SCHEMBL9204223 0.83 HRH3 (0.73) HRH3HDAC1
SCHEMBL30754005 0.83 HRH3 (0.62) HRH3KDM1A
SCHEMBL3975118 0.83 ALDH1A1 (0.65) HRH3
SCHEMBL14843994 0.83 HRH3 (1.00) HRH3
SCHEMBL3460040 0.83 HRH3 (0.59) HRH3HDAC1OPRM1OPRK1KDM1A
SCHEMBL29475033 0.82 UBE2T (0.71) HRH3OPRM1OPRK1KDM1AUBE2T
SCHEMBL30289763 0.82 UBE2T (0.71) HRH3OPRM1OPRK1KDM1AUBE2T

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 1/4885HDAC1 40/4885OPRM1 165/4885

“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.