SCHEMBL2773558

SCHEMBL2773558

CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2Br)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.58
PDE4D Q08499 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 2/20 0.53
KDM1A O60341 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGDS O60760 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL2764837 0.91 GPR119 (0.55) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2776116 0.88 GPR119 (0.69) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5371739 0.87 PDE4B (0.52) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL20569833 0.86 GPR119 (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL3094603 0.86 GPR119 (0.58) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL4106885 0.86 GPR119 (0.58) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5971118 0.86 PDE4B (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL20567338 0.86 PDE4B (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL70696 0.86 GPR119 (0.60) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL69206 0.85 KDM1A (0.56) GPR119PDE4DPDE4BPDE4APDE4C

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
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 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-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 GPR119 1900/4885PDE4D 4233/4885PDE4B 3885/4885
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 GPR119 1336/4885PDE4D 3439/4885PDE4B 3268/4885

“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.