SCHEMBL3564326

SCHEMBL3564326

Cc1cn(CCCCN2C[C@H]3C[C@@]3(c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
KCNH2 Q12809 5/20 0.49
CYP2C19 P33261 1/20 0.49
TK1 P04183 3/20 0.45
TK2 O00142 9/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL13314297 1.00 DRD2 (0.49) DRD2DRD3KCNH2CYP2C19TK1
SCHEMBL4775731 1.00 DRD2 (0.49) DRD2DRD3KCNH2CYP2C19TK1
SCHEMBL13349019 1.00 DRD2 (0.49) DRD2DRD3KCNH2CYP2C19TK1
Hydrochloric Acid SCHEMBL3566500 0.99 DRD2 (0.48) DRD2DRD3KCNH2CYP2C19TK1
SCHEMBL3566910 0.89 DRD3 (0.49) DRD2DRD3KCNH2TK1TK2
SCHEMBL3563967 0.88 DRD3 (0.49) DRD2DRD3KCNH2TK1TK2
Hydrochloric Acid SCHEMBL3567130 0.88 DRD3 (0.49) DRD2DRD3KCNH2TK1TK2
SCHEMBL4662643 0.88 DRD3 (0.45) DRD2DRD3KCNH2CYP2C19ADRA1D
SCHEMBL13314202 0.88 DRD3 (0.45) DRD2DRD3KCNH2CYP2C19ADRA1D
SCHEMBL15196038 0.88 DRD3 (0.45) DRD2DRD3KCNH2CYP2C19ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US claimed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US claimed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 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

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 524/4885KCNH2 66/4885

“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.