SCHEMBL3555228

SCHEMBL3555228

COc1ncc(-c2ccc(Cl)nc2)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.52
▸ QPCTL Q9NXS2 1/20 0.52
▸ HSD11B1 P28845 1/20 0.44
▸ PDE10A Q9Y233 2/20 0.44
▸ FTO Q9C0B1 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PPARD Q03181 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL29809511 0.84 HSD11B1 (0.57) QPCTQPCTLHSD11B1NPSR1ATM
SCHEMBL4743846 0.84 HSD11B1 (0.57) QPCTQPCTLHSD11B1NPSR1ATM
SCHEMBL3564079 0.83 QPCT (0.53) QPCTQPCTLHSD11B1PDE10AFTO
SCHEMBL16104488 0.79 QPCT (0.56) QPCTQPCTLHSD11B1FTONPSR1
SCHEMBL21180008 0.78 QPCT (0.52) QPCTQPCTLHSD11B1NPSR1ATM
SCHEMBL24408623 0.77 QPCT (0.42) QPCTQPCTLHSD11B1PLAUPIK3CD
SCHEMBL3767625 0.77 QPCT (0.54) QPCTQPCTLHSD11B1NPSR1ATM
SCHEMBL2039576 0.76 MAP4K4 (0.53) QPCTQPCTLPDE10APPARDPLAU
SCHEMBL2759587 0.75 QPCT (0.52) QPCTQPCTLHSD11B1PDE10ANPSR1
SCHEMBL1622162 0.75 QPCT (0.52) QPCTQPCTLHSD11B1NPSR1ATM

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 QPCT 2929/4885QPCTL 3866/4885HSD11B1 987/4885

“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.

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