SCHEMBL1552995

SCHEMBL1552995

CCOC(=O)c1cc2cc(O[C@H]3CCN(Cc4ccccc4)C3)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.70
MAOA P21397 1/20 0.70
ACHE P22303 1/20 0.70
MAOB P27338 1/20 0.70
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ROCK2 O75116 2/20 0.51
CCR2 P41597 2/20 0.51
ROCK1 Q13464 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL1552998 1.00 BCHE (0.70) BCHEMAOAACHEMAOBKDM4E
SCHEMBL15642600 0.83 BCHE (0.61) BCHEMAOAACHEMAOBKDM4E
SCHEMBL2944449 0.82 BCHE (0.61) BCHEMAOAACHEMAOBKDM4E
SCHEMBL5024235 0.82 HRH3 (0.65) BCHEMAOAACHEMAOBNPC1
SCHEMBL5024247 0.82 HRH3 (0.65) BCHEMAOAACHEMAOBNPC1
SCHEMBL14592716 0.81 CHEK2 (0.54) KDM4EALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL15642366 0.81 BCHE (0.60) BCHEMAOAACHEMAOBKDM4E
SCHEMBL1552632 0.81 HRH3 (0.61) BCHEMAOAACHEMAOBKDM4E
SCHEMBL1552813 0.81 HRH3 (0.61) BCHEMAOAACHEMAOBKDM4E
SCHEMBL5016937 0.80 HRH3 (0.65) BCHEMAOAACHEMAOBKDM4E

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-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-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
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 BCHE 1541/4885MAOA 372/4885ACHE 864/4885
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 BCHE 2437/4885MAOA 542/4885ACHE 1163/4885

“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.