SCHEMBL3561523

SCHEMBL3561523

O=c1[nH]c(=O)n(CCCCO)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.41
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TK1 P04183 2/20 0.38
TK2 O00142 4/20 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
SCHEMBL3561793 0.95 DRD2 (0.46) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL2349041 0.85 DRD2 (0.47) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL13314161 0.85 CYP1A2 (0.56) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL13314160 0.83 CYP1A2 (0.50) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL3564835 0.81 DRD2 (0.44) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL1484499 0.77 DRD2 (0.42) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL3558374 0.77 DRD2 (0.41) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL3565717 0.76 DUT (0.54) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL26035308 0.76 CYP2C9 (0.48) DRD2DRD3KMT2ACYP2C9MAPT
SCHEMBL23873406 0.75 GRIA1 (0.42) DRD2DRD3KMT2ACYP1A2LMNA

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
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
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 DRD2 1148/4885DRD3 524/4885KMT2A 1692/4885

“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.