SCHEMBL3085652

SCHEMBL3085652

CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2C#N)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.55
PDE4D Q08499 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
TBK1 Q9UHD2 4/20 0.51
IKBKE Q14164 1/20 0.49
KDM1A O60341 1/20 0.48

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
SCHEMBL28909021 0.87 GPR119 (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL1667168 0.87 GPR119 (0.55) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL14453674 0.87 GPR119 (0.58) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL3069360 0.86 GPR119 (0.59) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2776116 0.85 GPR119 (0.69) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL17289802 0.85 GPR119 (0.53) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL29826077 0.84 GPR119 (0.49) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL8089497 0.83 GPR119 (0.56) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL7655636 0.83 GPR119 (0.52) GPR119
SCHEMBL14087517 0.83 GPR119 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 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-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A GPR119 887/4885PDE4D 1967/4885PDE4B 2155/4885

“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.