SCHEMBL10120660

SCHEMBL10120660

O=c1[nH]c(=O)n(CCCN2CC3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.46
KCNH2 Q12809 15/20 0.46
DRD2 P14416 12/20 0.46
CYP1A2 P05177 1/20 0.42
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
SCHEMBL10107813 1.00 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL2745493 1.00 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL13882099 1.00 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL3558004 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL3558609 0.90 DRD3 (0.46) DRD3KCNH2DRD2CYP1A2MGLL
SCHEMBL10107846 0.89 DRD2 (0.40) DRD3KCNH2DRD2
SCHEMBL15196038 0.89 DRD3 (0.45) DRD3KCNH2DRD2
SCHEMBL13314202 0.89 DRD3 (0.45) DRD3KCNH2DRD2
SCHEMBL4662643 0.89 DRD3 (0.45) DRD3KCNH2DRD2
SCHEMBL3557151 0.89 DRD3 (0.45) DRD3KCNH2DRD2

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 5 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-8178549-B2 Azabicyclo [3. 1. O] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2010-08-19 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100210672-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, DRD5 DRD3 1/4885KCNH2 344/4885DRD2 4/4885
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.