SCHEMBL796520

SCHEMBL796520

CN(c1ccccc1)c1nc(N)nc(-c2noc(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HDAC1 Q13547 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
SMO Q99835 1/20 0.33
KIT P10721 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HSD11B1 P28845 2/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL795664 0.87 SMN1; SMN2 (0.43) GPR119SMOUSP30
SCHEMBL15476997 0.87 FAAH (0.45) HDAC1GPR119FAAHMGLLUSP30
SCHEMBL15477232 0.86 USP30 (0.43) GPR119FAAHMGLLSMOUSP30
SCHEMBL808242 0.83 HCRTR1 (0.43) GRM5L3MBTL1
SCHEMBL15480824 0.83 HCRTR1 (0.43) GRM5L3MBTL1
SCHEMBL796245 0.82 LIPG (0.42) SMOKITL3MBTL1
SCHEMBL17219958 0.79 HSD11B1 (0.41) FAAHMGLLHSD11B1GRM5
SCHEMBL15477161 0.78 SMO (0.36) SMOHSD11B1L3MBTL1
SCHEMBL796198 0.78 SMO (0.47) SMO
SCHEMBL796020 0.78

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 CHRM2 923/4885CHRM1 912/4885CHRM3 505/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 CHRM2 923/4885CHRM1 912/4885CHRM3 505/4885

“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.