SCHEMBL2825833

SCHEMBL2825833

CC(C)CN1CCN(c2ccc(NC(=O)NC3CCCCC3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
EPHX2 P34913 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
GAA P10253 1/20 0.46
POLB P06746 2/20 0.46
DGAT1 O75907 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2824123 0.89 RECQL (0.57) EPHX1EPHX2SMN1; SMN2TP53NFKB1
SCHEMBL2828179 0.86 LMNA (0.54) EPHX1EPHX2SMN1; SMN2TP53NFKB1
SCHEMBL2829351 0.82 MAPT (0.49) SMN1; SMN2TP53ALDH1A1RAB9A
SCHEMBL2830941 0.82 L3MBTL1 (0.56) ALDH1A1RAB9A
SCHEMBL2827804 0.82 MEN1 (0.52) EPHX1EPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL2828592 0.80 MAPT (0.44) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2829128 0.80 CNR1 (0.48) EPHX2SMN1; SMN2
SCHEMBL2830726 0.78 NAMPT (0.48) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2829706 0.78 DRD4 (0.59) ALDH1A1RAB9AGAADGAT1
SCHEMBL2829597 0.77 NPC1 (0.51) SMN1; SMN2TP53NPC1RAB9A

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 EPHX1 840/4885EPHX2 1363/4885SMN1; SMN2 3716/4885

“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.