SCHEMBL3069360

SCHEMBL3069360

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.59
KDM1A O60341 1/20 0.53
EPHX2 P34913 1/20 0.51
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
TBK1 Q9UHD2 2/20 0.47
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNB1 Q02641 1/20 0.46

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
SCHEMBL16792965 0.93 GPR119 (0.52) GPR119KDM1AEPHX2PDE4BTBK1
SCHEMBL16792922 0.93 GPR119 (0.52) GPR119KDM1AEPHX2PDE4BTBK1
SCHEMBL22265562 0.89 GPR119 (0.55) GPR119KDM1AEPHX2PDE4APDE4B
SCHEMBL3085652 0.86 GPR119 (0.55) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL14453674 0.84 GPR119 (0.58) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL1667168 0.84 GPR119 (0.55) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL3250467 0.84 GPR119 (0.54) GPR119
SCHEMBL74564 0.83 KDM1A (0.57) GPR119KDM1APDE4APDE4BPDE4C
SCHEMBL19839235 0.83 PDE4B (0.64) GPR119KDM1AEPHX2PDE4APDE4B
SCHEMBL21765007 0.83 KDM1A (0.57) GPR119KDM1AEPHX2PDE4APDE4B

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 887/4885KDM1A 556/4885EPHX2 602/4885

“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.