SCHEMBL2828592

SCHEMBL2828592

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PANK3 Q9H999 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL2828677 0.89 ALDH1A1 (0.48) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2830941 0.84 L3MBTL1 (0.56) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2829351 0.84 MAPT (0.49) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2830726 0.84 NAMPT (0.48) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2829597 0.83 NPC1 (0.51) MAPTRAB9AL3MBTL1PANK3SMN1; SMN2
SCHEMBL2825833 0.80 EPHX1 (0.49) RAB9AALDH1A1SMN1; SMN2
SCHEMBL2829706 0.80 DRD4 (0.59) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2831848 0.79 RAB9A (0.52) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2825988 0.79 SMN1; SMN2 (0.55) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL2829128 0.76 CNR1 (0.48) MAPTKDM4EL3MBTL1SMN1; SMN2CYP1A2

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 MAPT 2111/4885KDM4E 437/4885RAB9A 2779/4885

“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.