SCHEMBL2828677

SCHEMBL2828677

CCCNC(=O)Nc1ccc(N2CCN(CC)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 7/20 0.47
KDM4E B2RXH2 3/20 0.47
FGFR3 P22607 1/20 0.47
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
SYK P43405 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2828592 0.89 MAPT (0.44) ALDH1A1MAPTKDM4ERAB9AL3MBTL1
SCHEMBL2828961 0.84 RAB9A (0.59) ALDH1A1MAPTKDM4EFGFR3RAB9A
SCHEMBL2829607 0.84 RECQL (0.56) ALDH1A1MAPTKDM4EFGFR3RAB9A
SCHEMBL2829504 0.84 MCHR1 (0.53) ALDH1A1MAPTKDM4ERAB9AL3MBTL1
SCHEMBL4182985 0.82 MAPT (0.48) ALDH1A1MAPTRAB9AMEN1KMT2A
Cyclohexane SCHEMBL2829875 0.81 RAB9A (0.52) ALDH1A1MAPTKDM4EFGFR3RAB9A
SCHEMBL2824123 0.80 RECQL (0.57) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL2829336 0.78 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4EFGFR3RAB9A
SCHEMBL2824451 0.77 MEN1 (0.69) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL15183915 0.76 KDM4E (0.52) ALDH1A1MAPTKDM4EFGFR3RAB9A

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 ALDH1A1 586/4885MAPT 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.