SCHEMBL3557151

SCHEMBL3557151

O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3cccc(C(F)(F)F)c3)C2)cc1I

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.45
KCNH2 Q12809 14/20 0.45
DRD2 P14416 12/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL4662643 1.00 DRD3 (0.45) DRD3KCNH2DRD2CYP2C19ADRA1D
SCHEMBL13314202 1.00 DRD3 (0.45) DRD3KCNH2DRD2CYP2C19ADRA1D
SCHEMBL15196038 1.00 DRD3 (0.45) DRD3KCNH2DRD2CYP2C19ADRA1D
SCHEMBL10120660 0.89 DRD3 (0.46) DRD3KCNH2DRD2
SCHEMBL2745493 0.89 DRD3 (0.46) DRD3KCNH2DRD2
SCHEMBL13882099 0.89 DRD3 (0.46) DRD3KCNH2DRD2
SCHEMBL10107813 0.89 DRD3 (0.46) DRD3KCNH2DRD2
SCHEMBL13349019 0.88 DRD2 (0.49) DRD3KCNH2DRD2CYP2C19ADRA1D
SCHEMBL13314297 0.88 DRD2 (0.49) DRD3KCNH2DRD2CYP2C19ADRA1D
SCHEMBL3564326 0.88 DRD2 (0.49) DRD3KCNH2DRD2CYP2C19ADRA1D

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
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-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 (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.