SCHEMBL2830941

SCHEMBL2830941

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 2/20 0.56
PANK3 Q9H999 4/20 0.53
MAPT P10636 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 4/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
WNT3A P56704 1/20 0.43
MTOR P42345 2/20 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
SCHEMBL2829351 0.91 MAPT (0.49) L3MBTL1RAB9APANK3MAPTKDM4E
SCHEMBL2829597 0.90 NPC1 (0.51) L3MBTL1RAB9APANK3MAPTCYP1A2
SCHEMBL2829706 0.88 DRD4 (0.59) L3MBTL1RAB9AMAPTKDM4EDRD2
SCHEMBL2828961 0.87 RAB9A (0.59) L3MBTL1RAB9APANK3MAPTCYP1A2
SCHEMBL2828592 0.84 MAPT (0.44) L3MBTL1RAB9APANK3MAPTCYP1A2
SCHEMBL2831848 0.83 RAB9A (0.52) L3MBTL1RAB9APANK3MAPTKDM4E
SCHEMBL2825988 0.82 SMN1; SMN2 (0.55) RAB9AMAPTKDM4EDRD4ALDH1A1
SCHEMBL2830726 0.82 NAMPT (0.48) L3MBTL1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2825833 0.82 EPHX1 (0.49) RAB9AALDH1A1
SCHEMBL2829128 0.78 CNR1 (0.48) L3MBTL1MAPTCYP1A2KDM4E

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 2623/4885RAB9A 2779/4885PANK3 1586/4885

“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.