SCHEMBL2829607

SCHEMBL2829607

CCN1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
MAPT P10636 7/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FGFR3 P22607 1/20 0.47
REV1 Q9UBZ9 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
SCHEMBL2828961 0.90 RAB9A (0.59) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2829351 0.87 MAPT (0.49) RECQLMAPTKDM4EALDH1A1PKM
SCHEMBL2825674 0.86 WNT3A (0.58) MAPTKDM4EALDH1A1SMN1; SMN2REV1
SCHEMBL2828677 0.84 ALDH1A1 (0.48) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2829625 0.83 HRH3 (0.54) RECQLMAPTKDM4EALDH1A1PKM
SCHEMBL2076560 0.83 KIT (0.56) RECQLMAPTKDM4EALDH1A1RAB9A
Cyclohexane SCHEMBL2829875 0.82 RAB9A (0.52) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2829336 0.81 SMN1; SMN2 (0.57) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2829504 0.81 MCHR1 (0.53) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2824123 0.81 RECQL (0.57) RECQLALDH1A1RAB9ANPC1TP53

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 RECQL 1177/4885MAPT 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.