SCHEMBL2829597

SCHEMBL2829597

Cc1ccc(CNC(=O)Nc2ccc(N3CCN(CC(C)C)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NAMPT P43490 4/20 0.48
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
PANK3 Q9H999 2/20 0.45
MCHR1 Q99705 1/20 0.44
WNT3A P56704 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL2830726 0.91 NAMPT (0.48) NPC1RAB9AL3MBTL1NAMPTMAPT
SCHEMBL2830941 0.90 L3MBTL1 (0.56) RAB9AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2826808 0.88 NPC1 (0.53) NPC1RAB9AL3MBTL1NAMPTCYP1A2
SCHEMBL2828592 0.83 MAPT (0.44) RAB9AL3MBTL1NAMPTCYP1A2MAPT
SCHEMBL2824240 0.81 NPC1 (0.50) NPC1RAB9AL3MBTL1CYP1A2MAPT
SCHEMBL2829351 0.81 MAPT (0.49) RAB9AL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL2829706 0.81 DRD4 (0.59) RAB9AL3MBTL1MAPTDRD2DRD4
SCHEMBL2829504 0.79 MCHR1 (0.53) NPC1RAB9AL3MBTL1NAMPTMAPT
SCHEMBL2829567 0.78 NAMPT (0.47) NPC1RAB9AL3MBTL1NAMPTMAPT
SCHEMBL2828961 0.77 RAB9A (0.59) NPC1RAB9AL3MBTL1CYP1A2MAPT

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 NPC1 1768/4885RAB9A 2779/4885L3MBTL1 2623/4885

“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.