SCHEMBL13201876

SCHEMBL13201876

CC(C)(C)OC(=O)N1C[C@H]2CC2(c2ccc(I)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.44
MGLL Q99685 2/20 0.42
JAK1 P23458 1/20 0.38
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL4629807 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL8247516 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL4629158 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL2714917 0.88 RORC (0.44) RORCMGLLJAK1KDM1A
SCHEMBL12313218 0.88 RORC (0.57) RORCMGLL
SCHEMBL23752795 0.88 MGLL (0.54) RORCMGLL
SCHEMBL5242538 0.88 RORC (0.57) RORCMGLL
SCHEMBL2712886 0.88 RORC (0.57) RORCMGLL
SCHEMBL9951030 0.88 RORC (0.57) RORCMGLL
SCHEMBL2975631 0.88 RORC (0.44) RORCMGLLJAK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776904-B2 Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
US-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2009-01-29 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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3C RORC 673/4885MGLL 4516/4885JAK1 1667/4885

“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.