SCHEMBL2829603

SCHEMBL2829603

Cc1ccccc1NC(=O)Nc1ccc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 6/20 0.51
CYP1A2 P05177 1/20 0.51
RAB9A P51151 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DDX3X O00571 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
IMPDH2 P12268 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
PANK3 Q9H999 1/20 0.43
HDAC4 P56524 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 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
SCHEMBL2832601 0.88 RAB9A (0.50) L3MBTL1MAPTRAB9ANPSR1KDM4E
SCHEMBL2826663 0.88 PTPN11 (0.54) L3MBTL1MAPTCYP1A2RAB9AHRH3
SCHEMBL2829625 0.83 HRH3 (0.54) L3MBTL1MAPTRAB9AHRH3KDM4E
SCHEMBL2831832 0.83 DRD2 (0.54) L3MBTL1MAPTRAB9AHRH3IMPDH2
Cyclohexane SCHEMBL2828762 0.80 L3MBTL1 (0.52) L3MBTL1MAPTCYP1A2RAB9AHRH3
SCHEMBL2829567 0.80 NAMPT (0.47) L3MBTL1MAPTRAB9AHRH3KDM4E
SCHEMBL2829341 0.79 SMN1; SMN2 (0.57) MAPTRAB9AHRH3KDM4ENPC1
SCHEMBL2826808 0.77 NPC1 (0.53) L3MBTL1MAPTCYP1A2RAB9AHRH3
SCHEMBL2829620 0.76 HRH3 (0.53) L3MBTL1MAPTCYP1A2RAB9AHRH3
SCHEMBL2826056 0.76 CNR1 (0.51) L3MBTL1NPSR1HRH3HDAC4

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 L3MBTL1 2623/4885MAPT 2111/4885CYP1A2 455/4885

“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.