SCHEMBL796305

SCHEMBL796305

CCOC(=O)c1ccc(OC2CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.46
HRH3 Q9Y5N1 1/20 0.44
PIK3CA P42336 1/20 0.44
MAPT P10636 1/20 0.43
PDE4D Q08499 6/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 2/20 0.42
P2RX3 P56373 1/20 0.41
SCN5A Q14524 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL796576 0.81 MAPT (0.49) MAPTPDE4D
SCHEMBL796507 0.81 HRH3 (0.49) PDE4BHRH3MAPTCYP2C9
SCHEMBL1169295 0.80 EPHX2 (0.54) PDE4BHRH3PDE4DPDE4APDE4C
SCHEMBL601774 0.80 DGAT1 (0.43) PDE4BHRH3MAPTRAB9AALDH1A1
SCHEMBL601775 0.80 DGAT1 (0.43) PDE4BHRH3MAPTRAB9AALDH1A1
SCHEMBL23148120 0.78 MAPK1 (0.54) HRH3MAPTRAB9AALDH1A1NPC1
SCHEMBL30241123 0.78 MAPK1 (0.54) HRH3MAPTRAB9AALDH1A1NPC1
SCHEMBL3346693 0.78 GPR119 (0.62) PDE4BHRH3MAPTPDE4DPDE4A
SCHEMBL13662044 0.77 SCN9A (0.44) HRH3PIK3CASCN9AP2RX3SCN5A
SCHEMBL31704757 0.76 ACACB (0.46) PDE4BPIK3CAPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PDE4B 403/4885HRH3 1175/4885PIK3CA 2806/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 PDE4B 403/4885HRH3 1175/4885PIK3CA 2806/4885

“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.