SCHEMBL795512

SCHEMBL795512

CN(c1ccccc1)c1nc(N)nc(-c2noc([C@H]3CCCN3C(=O)O)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.44
GRM5 P41594 9/20 0.44
HCRTR2 O43614 4/20 0.43
CPT1A P50416 5/20 0.42
CPT2 P23786 3/20 0.42

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
SCHEMBL797292 1.00 HCRTR1 (0.44) HCRTR1GRM5HCRTR2CPT1ACPT2
SCHEMBL795246 0.90 CPT1A (0.44) CPT1ACPT2
SCHEMBL15480824 0.90 HCRTR1 (0.43) HCRTR1GRM5HCRTR2CPT1ACPT2
SCHEMBL795892 0.90 CPT1A (0.44) CPT1ACPT2
SCHEMBL808242 0.90 HCRTR1 (0.43) HCRTR1GRM5HCRTR2CPT1ACPT2
SCHEMBL795517 0.88 HCRTR1 (0.44) HCRTR1HCRTR2CPT1ACPT2
SCHEMBL17220084 0.83 HSD11B1 (0.46) GRM5
SCHEMBL17219958 0.83 HSD11B1 (0.41) GRM5
SCHEMBL795958 0.81 DPP4 (0.44) HCRTR1HCRTR2CPT1ACPT2
SCHEMBL794710 0.81 DPP4 (0.44) HCRTR1HCRTR2CPT1ACPT2

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 HCRTR1 537/4885GRM5 67/4885HCRTR2 204/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HCRTR1 537/4885GRM5 67/4885HCRTR2 204/4885

“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.