SCHEMBL5017066

SCHEMBL5017066

CCOC(=O)c1[nH]c2ccc(OC3CCN(C(C)C)CC3)cc2c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.57
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5023229 0.94 HRH3 (0.51) HRH3KDM4EALDH1A1HPGDNPC1
SCHEMBL5027475 0.92 HRH3 (0.54) HRH3
SCHEMBL5023220 0.91 HRH3 (0.53) HRH3
SCHEMBL5017166 0.90 HRH3 (0.51) HRH3
SCHEMBL1379107 0.89 HRH3 (0.56) HRH3LMNA
SCHEMBL5023201 0.86 HRH3 (0.48) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5025813 0.86 HRH3 (0.54) HRH3
SCHEMBL1378344 0.85 HRH3 (0.51) HRH3KDM4EALDH1A1HPGDNPC1
SCHEMBL5017161 0.83 HRH3 (0.45) HRH3
SCHEMBL5024333 0.83 HRH3 (0.50) HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 HRH3 1/4885KDM4E 1001/4885ALDH1A1 2007/4885

“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.