SCHEMBL3557693

SCHEMBL3557693

COc1ncc(-c2cccnc2C#N)c(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.43
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
PLCG1 P19174 1/20 0.37
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
SQOR Q9Y6N5 5/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA2 P47869 1/20 0.36
GRM5 P41594 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL15196014 0.81 USP8 (0.39) USP8PLCG1SQORGRM5S100A4
SCHEMBL3565523 0.78 QPCT (0.42) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL3560176 0.78 QPCT (0.42) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL30961410 0.74 QPCT (0.44) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL3564444 0.73 QPCT (0.45) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL27890174 0.73 PDE5A (0.46) USP8PLCG1TP53L3MBTL1
SCHEMBL943863 0.73 PLAU (0.47) QPCTQPCTLCYP1A2METAP2SQOR
SCHEMBL3559048 0.72 QPCT (0.40) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL397632 0.72 GABRG2 (0.47) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL2039668 0.72 L3MBTL1 (0.44) QPCTQPCTLCRHR1CYP1A2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
CN-101460485-A Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptor GLAXO GROUP LTD (GB) 2009-06-17 CN disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 USP8 4616/4885QPCT 2929/4885QPCTL 3866/4885

“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.