SCHEMBL2275841

SCHEMBL2275841

COCC1CCC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.37
BCHE P06276 2/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
NAMPT P43490 1/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ADORA1 P30542 1/20 0.33
FFAR2 O15552 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL25278699 0.89 HTR6 (0.39) HTR6BCHEDRD2DRD3GSK3A
SCHEMBL25237528 0.89 HTR6 (0.39) HTR6BCHEDRD2DRD3GSK3A
SCHEMBL17103559 0.88 JAK1 (0.44) HTR6BCHEDRD2DRD3JAK1
SCHEMBL17103561 0.88 JAK1 (0.44) HTR6BCHEDRD2DRD3JAK1
SCHEMBL2279419 0.87 HTR6 (0.35) HTR6BCHEDRD2DRD3JAK1
SCHEMBL20266900 0.86 JAK1 (0.37) HTR6BCHEDRD2DRD3JAK1
SCHEMBL20266899 0.86 JAK1 (0.37) HTR6BCHEDRD2DRD3JAK1
SCHEMBL2275622 0.86 MEN1 (0.37) HTR6GSK3AGSK3BADORA1
SCHEMBL2273806 0.86 GSK3A (0.35) HTR6DRD2DRD3GSK3AGSK3B
SCHEMBL2275894 0.86 GSK3A (0.46) HTR6BCHEDRD2DRD3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HTR6 3644/4885BCHE 2929/4885DRD2 3564/4885

“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.