SCHEMBL795982

SCHEMBL795982

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(OCC4CC4)cn3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
ACHE P22303 1/20 0.34
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
CNR1 P21554 1/20 0.33
CXCR1 P25024 1/20 0.33
GPR183 P32249 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL796056 0.86 NPC1 (0.41)
SCHEMBL808016 0.84 STAT3 (0.38) CNR2
SCHEMBL796122 0.83 GABRA5 (0.38) CNR2ACHE
SCHEMBL15480817 0.82 DHFR (0.36) ACHE
SCHEMBL796527 0.81 GRM5 (0.38)
SCHEMBL796710 0.79 GPR119 (0.38) ACHECXCR1GPR183GPR119
SCHEMBL795736 0.79 CNR2 (0.35) CNR2ACHE
SCHEMBL795346 0.78 ATR (0.36)
SCHEMBL797277 0.78 CASP3 (0.45)
SCHEMBL795360 0.78 PKM (0.48)

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 CNR2 15/4885ACHE 260/4885CYP4F2 195/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CNR2 15/4885ACHE 260/4885CYP4F2 195/4885

“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.