SCHEMBL2467456

SCHEMBL2467456

CCOC(=O)c1nn(CC)c2c1CCC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 9/20 0.42
PDE4D Q08499 9/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 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
SCHEMBL5230126 0.85 CCNA2 (0.41) KDM4EALDH1A1HPGDHSD17B10CCNA2
SCHEMBL2467593 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31699760 0.77 CCNA2 (0.39) KDM4EALDH1A1HPGDHSD17B10CCNA2
SCHEMBL2470457 0.76 OPRM1 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL2473760 0.75 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL24289261 0.75 UGCG (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL31699699 0.74 ADORA1 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13935668 0.73 CYP19A1 (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21995749 0.73 TRPM2 (0.37) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21752581 0.73 LMNA (0.49) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 PDE4A 177/4885PDE4B 176/4885PDE4C 618/4885

“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.