SCHEMBL969735

SCHEMBL969735

OCCc1cc2ccccn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
DRD3 P35462 7/20 0.45
DRD4 P21917 3/20 0.45
KDM4E B2RXH2 3/20 0.45
DRD1 P21728 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
MAPK8 P45983 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK7 P50613 1/20 0.44
TYRO3 Q06418 1/20 0.44
LRRK2 Q5S007 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TP53 P04637 4/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL259378 0.87 DRD2 (0.48) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL967558 0.82 DRD2 (0.45) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL11655446 0.82 MAP4K4 (0.47) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL13540953 0.78 DRD2 (0.47) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL30971750 0.78 DRD2 (0.50) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL2024811 0.76 MAP4K4 (0.53) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL24656101 0.74 NR3C1 (0.47) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL5018749 0.74 DRD2 (0.44) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL18901340 0.74 DRD2 (0.44) DRD2DRD3DRD4KDM4EDRD1
SCHEMBL4032354 0.74 DRD2 (0.50) DRD2DRD3DRD4KDM4EDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 DRD2 332/4885DRD3 732/4885DRD4 1193/4885

“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.