SCHEMBL2829625

SCHEMBL2829625

CC(C)N1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 3/20 0.52
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.48
PANK3 Q9H999 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 1/20 0.47
TP53 P04637 1/20 0.47
EPHX2 P34913 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46

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
SCHEMBL2826663 0.90 PTPN11 (0.54) HRH3MAPTKDM4EALDH1A1PANK3
SCHEMBL2829351 0.85 MAPT (0.49) MAPTKDM4EPKMALDH1A1RECQL
SCHEMBL2829607 0.83 RECQL (0.56) MAPTKDM4EPKMALDH1A1RECQL
SCHEMBL2829603 0.83 L3MBTL1 (0.54) HRH3MAPTKDM4EPANK3RAB9A
SCHEMBL2831832 0.83 DRD2 (0.54) HRH3MAPTKDM4EPKMPANK3
SCHEMBL2072590 0.83 RAB9A (0.54) HRH3MAPTKDM4EALDH1A1RECQL
Cyclohexane SCHEMBL2828762 0.82 L3MBTL1 (0.52) HRH3MAPTKDM4EALDH1A1PANK3
SCHEMBL2832601 0.82 RAB9A (0.50) MAPTKDM4EALDH1A1PANK3SMN1; SMN2
SCHEMBL2829341 0.81 SMN1; SMN2 (0.57) HRH3MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2828179 0.81 LMNA (0.54) HRH3ALDH1A1SMN1; SMN2RAB9ATP53

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 HRH3 1/4885MAPT 2111/4885KDM4E 437/4885

“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.