SCHEMBL1552632

SCHEMBL1552632

CCOC(=O)c1cc2cc(OC3CCN(C(C)C)C3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.61
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
BCHE P06276 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
MMP13 P45452 2/20 0.48
MMP2 P08253 1/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1552813 1.00 HRH3 (0.61) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL1397942 0.94 HRH3 (0.68) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL5024198 0.92 HRH3 (0.59) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL5023593 0.86 HRH3 (0.66) HRH3KMT2A
SCHEMBL5023289 0.86 HRH3 (0.66) HRH3KMT2A
SCHEMBL5023499 0.86 HRH3 (0.66) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL5017044 0.85 HRH3 (0.60) HRH3
SCHEMBL5023225 0.84 HRH3 (0.59) HRH3
SCHEMBL5017033 0.83 HRH3 (0.86) HRH3RAB9ANPC1
SCHEMBL5024117 0.83 HRH3 (0.80) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1968967-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-17 EP disclosed
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
WO-2007062997-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 US disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 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 (2 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-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 HRH3 1/4885KDM4E 1001/4885ALDH1A1 2007/4885
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 HRH3 4/4885KDM4E 2092/4885ALDH1A1 429/4885

“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.