SCHEMBL1707992

SCHEMBL1707992

O=[C]OCc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.57
CYSLTR2 Q9NS75 3/20 0.57
GPBAR1 Q8TDU6 8/20 0.50
PDE10A Q9Y233 1/20 0.49
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
CYP1A2 P05177 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL8764370 0.83 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL2353460 0.79 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL16277855 0.76 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL30824506 0.76 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL1262903 0.76 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL1715309 0.76 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL349015 0.76 CYP1A2 (0.49) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL238787 0.76 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL29024811 0.75 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL7510557 0.75 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP claimed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP disclosed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-0608565-B1 Pyridopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-13 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
EP-0608565-A1 Pyridopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-03 EP 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 CYSLTR1 2417/4885CYSLTR2 2685/4885GPBAR1 1408/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 CYSLTR1 4009/4885CYSLTR2 3567/4885GPBAR1 1756/4885

“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.