SCHEMBL2829351

SCHEMBL2829351

CC(C)CN1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.47
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
RECQL P46063 1/20 0.45
PANK3 Q9H999 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL2830941 0.91 L3MBTL1 (0.56) MAPTKDM4EALDH1A1PANK3RAB9A
SCHEMBL2829607 0.87 RECQL (0.56) MAPTKDM4EALDH1A1PKMKCNQ3
SCHEMBL2829625 0.85 HRH3 (0.54) MAPTKDM4EALDH1A1PKMKCNQ3
SCHEMBL2828592 0.84 MAPT (0.44) MAPTKDM4EALDH1A1KCNQ3KCNQ2
SCHEMBL2829706 0.84 DRD4 (0.59) MAPTKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL2831848 0.83 RAB9A (0.52) MAPTKDM4EALDH1A1PANK3SMN1; SMN2
SCHEMBL2825988 0.82 SMN1; SMN2 (0.55) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2825833 0.82 EPHX1 (0.49) ALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL2830726 0.82 NAMPT (0.48) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2829597 0.81 NPC1 (0.51) MAPTPANK3SMN1; SMN2RAB9AL3MBTL1

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.