SCHEMBL2828056

SCHEMBL2828056

CCN1CCN(c2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
HRH3 Q9Y5N1 10/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMO Q99835 1/20 0.52
PARP1 P09874 2/20 0.50
UBE2T Q9NPD8 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SYK P43405 1/20 0.47
AOC3 Q16853 1/20 0.47
KDM1A O60341 1/20 0.47

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
SCHEMBL13036340 0.87 PPARG (0.54) OPRM1OPRK1HRH3KDM4EGAA
SCHEMBL7527367 0.86 KDM4E (0.52) OPRM1OPRK1HRH3KDM4EGAA
Potassium Ion SCHEMBL7532631 0.84 KDM4E (0.54) OPRM1OPRK1HRH3KDM4EGAA
SCHEMBL7525198 0.84 KDM4E (0.54) OPRM1OPRK1HRH3KDM4EGAA
SCHEMBL30753988 0.84 HRH3 (0.70) OPRM1OPRK1HRH3GAASMO
SCHEMBL4460927 0.84 RAB9A (0.56) OPRM1OPRK1HRH3KDM4ESMO
SCHEMBL7528163 0.83 KMT2A (0.68) HRH3KDM4EGAANPC1RAB9A
SCHEMBL30754039 0.83 HRH3 (0.56) OPRM1OPRK1HRH3SMOPARP1
Hydrochloric Acid SCHEMBL5009801 0.82 RAB9A (0.55) OPRM1OPRK1HRH3KDM4ESMO
SCHEMBL31747424 0.82 OPRM1 (0.57) OPRM1OPRK1HRH3SMOPARP1

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 13 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
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO 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
EP-0882716-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN PHARMA INC (JP) 2002-04-10 EP disclosed
US-6046201-A Pyridinecarboxamide derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-04-04 US disclosed
EP-0882716-A1 PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-09 EP 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 OPRM1 165/4885OPRK1 91/4885HRH3 1/4885

“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.