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Sugi Predict / Compounds / SCHEMBL3558004

SCHEMBL3558004

SCHEMBL3558004

O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 16/20 0.46
▸ KCNH2 Q12809 14/20 0.46
▸ DRD2 P14416 13/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ DRD4 P21917 1/20 0.37
▸ MGLL Q99685 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
Hydrochloric Acid SCHEMBL3561470 0.99 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2DRD4
SCHEMBL3558609 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
Hydrochloric Acid SCHEMBL4662665 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL10120660 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL14396175 0.90 DRD3 (0.49) DRD3KCNH2DRD2CYP1A2
SCHEMBL3564364 0.90 DRD3 (0.49) DRD3KCNH2DRD2CYP1A2
SCHEMBL13882099 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL10107813 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL2745493 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
Hydrochloric Acid SCHEMBL3559610 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL

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 10 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-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
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 DRD3 524/4885KCNH2 66/4885DRD2 1148/4885

“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.