SCHEMBL2206434

SCHEMBL2206434

O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCS(=O)(=O)CC1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.83
SCN9A Q15858 7/20 0.57
SCN7A Q01118 2/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46

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
SCHEMBL2211794 0.92 HRH3 (0.98) HRH3SCN9ASCN7AKCNH2SCN5A
SCHEMBL2210268 0.91 HRH3 (1.00) HRH3SCN9ASCN7AKCNH2SCN5A
SCHEMBL2208108 0.87 HRH3 (0.85) HRH3SCN9A
SCHEMBL1380318 0.87 HRH3 (0.84) HRH3SCN9A
SCHEMBL2210587 0.85 HRH3 (1.00) HRH3SCN9A
SCHEMBL2209209 0.85 HRH3 (0.81) HRH3SCN9ASCN7AKCNH2SCN5A
SCHEMBL2208663 0.84 HRH3 (0.83) HRH3SCN9A
SCHEMBL2208762 0.83 HRH3 (0.78) HRH3SCN9A
SCHEMBL2208642 0.83 HRH3 (0.78) HRH3SCN9A
SCHEMBL2208598 0.81 HRH3 (0.58) HRH3SCN9ASCN7AKCNH2

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 8 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
US-7534891-B2 Quinoline derivatives as H3R inverse agonists HOFFMAN-LA ROCHE INC. (US) 2009-05-19 US 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 690/4885SCN7A 314/4885

“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.