SCHEMBL3570023

SCHEMBL3570023

COc1ncc(-c2cnccc2C)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP1A2 P05177 4/20 0.40
METAP2 P50579 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CYP17A1 P05093 7/20 0.39
PDE2A O00408 4/20 0.39
PDE10A Q9Y233 4/20 0.39
MAP4K1 Q92918 1/20 0.38
PDE5A O76074 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
ABL1 P00519 1/20 0.38
CRHR1 P34998 1/20 0.37
PLAU P00749 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL3824071 0.83 CYP19A1 (0.41) CYP11B1CYP11B2QPCTQPCTLCYP1A2
SCHEMBL3564444 0.81 QPCT (0.45) QPCTQPCTLCYP1A2METAP2ABL1
SCHEMBL3565802 0.80 QPCT (0.42) QPCTQPCTLCYP1A2METAP2HASPIN
SCHEMBL15196039 0.79 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2CYP17A1PDE2A
SCHEMBL10304998 0.76 QPCT (0.44) QPCTQPCTLCYP1A2METAP2PDE2A
SCHEMBL3570149 0.74 RECQL (0.49) QPCTQPCTLCYP1A2METAP2HASPIN
SCHEMBL3562325 0.74 QPCT (0.42) QPCTQPCTLCYP1A2METAP2ABL1
SCHEMBL29988790 0.73 TDO2 (0.49) CYP11B1CYP11B2CYP1A2CYP17A1ABL1
SCHEMBL3421743 0.73 TDO2 (0.49) CYP11B1CYP11B2CYP1A2CYP17A1ABL1
SCHEMBL16104488 0.72 QPCT (0.56) QPCTQPCTLCYP1A2METAP2ABL1

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 CYP11B1 649/4885CYP11B2 1003/4885QPCT 2929/4885

“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.