SCHEMBL2829135

SCHEMBL2829135

CC(C)N1CCN(c2ccc(NS(=O)(=O)N(C)C)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.45
HRH3 Q9Y5N1 11/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.40
MET P08581 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2829665 0.82 GAA (0.53) GAAKMT2AMEN1HRH3KDM4E
SCHEMBL7485653 0.82 ALOX12 (0.50) GAAKMT2AMEN1KDM4EHSD17B10
SCHEMBL2824378 0.80 GAA (0.49) GAAKMT2AMEN1HRH3KDM4E
SCHEMBL7494810 0.78 ALOX12 (0.47) GAAKMT2AMEN1HRH3KDM4E
Hydrochloric Acid SCHEMBL3973384 0.76 GAA (0.53) GAAKMT2AMEN1HRH3MET
Hydrochloric Acid SCHEMBL3973303 0.75 TLR9 (0.42) GAAKMT2AMEN1HRH3MET
SCHEMBL1126068 0.74 HRH3 (0.49) HRH3
Cyclohexane SCHEMBL2828762 0.73 L3MBTL1 (0.52) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3999351 0.73 HSD17B10 (0.54) GAAKMT2AMEN1HRH3KDM4E
SCHEMBL17897243 0.72 HRH3 (0.63) HRH3

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 GAA 2915/4885KMT2A 164/4885MEN1 2620/4885

“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.