SCHEMBL1380225

SCHEMBL1380225

CCN(CCOC)C(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.63
SCN9A Q15858 2/20 0.49
CNR2 P34972 1/20 0.45

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
SCHEMBL1377984 0.95 HRH3 (0.56) HRH3SCN9ACNR2
SCHEMBL4485873 0.87 HRH3 (0.59) HRH3
SCHEMBL1378025 0.86 HRH3 (0.68) HRH3
SCHEMBL2212247 0.86 HRH3 (0.54) HRH3
SCHEMBL1377740 0.84 HRH3 (0.62) HRH3SCN9A
SCHEMBL1378259 0.84 HRH3 (0.73) HRH3
SCHEMBL1378342 0.82 HRH3 (0.61) HRH3
SCHEMBL2212973 0.81 HRH3 (0.49) HRH3
SCHEMBL1378186 0.81 HRH3 (0.60) HRH3SCN9A
SCHEMBL2212606 0.81 HRH3 (0.77) HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed
JP-4660553-B2 2011-03-30 JP claimed
US-7534891-B2 Quinoline derivatives as H3R inverse agonists HOFFMAN-LA ROCHE INC. (US) 2009-05-19 US claimed
JP-2008517003-A 2008-05-22 JP claimed
EP-1805166-A1 QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-11 EP claimed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO claimed
US-20060084679-A1 Quinoline derivatives as H3R inverse agonists HOFFMANN-LA ROCHE INC. 2006-04-20 US claimed
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP disclosed
US-7534891-B2 Quinoline derivatives as H3R inverse agonists HOFFMAN-LA ROCHE INC. (US) 2009-05-19 US disclosed
EP-1805166-A1 QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-11 EP disclosed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084679-A1 Quinoline derivatives as H3R inverse agonists HOFFMANN-LA ROCHE INC. 2006-04-20 US 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-20060084679-A1 Quinoline derivatives as H3R inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885SCN9A 690/4885CNR2 62/4885

“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.