SCHEMBL796507

SCHEMBL796507

CCOC(=O)c1ccc(OC2CCN(C)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
PDE4B Q07343 1/20 0.42
CYP2C9 P11712 1/20 0.42
P2RY12 Q9H244 1/20 0.41
FDFT1 P37268 1/20 0.41
CYP19A1 P11511 2/20 0.41
MAPT P10636 1/20 0.41
ACACB O00763 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TLR7 Q9NYK1 2/20 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
SCHEMBL795847 0.84 MAPT (0.49) HRH3SCN1ASCN2ASCN3AMAPT
SCHEMBL17869387 0.81 SCN1A (0.51) HRH3SCN1ASCN2ASCN3ACYP2C9
SCHEMBL796305 0.81 PDE4B (0.46) HRH3PDE4BCYP2C9MAPT
SCHEMBL3346693 0.80 GPR119 (0.62) HRH3PDE4BMAPT
SCHEMBL17232495 0.78 TLR7 (0.46) HRH3TLR7
SCHEMBL10196809 0.78 GPR119 (0.41) HRH3SCN1ASCN2ASCN3AMAPT
SCHEMBL10196808 0.77 TDO2 (0.48) HRH3SCN1ASCN2ASCN3AACACB
SCHEMBL601774 0.76 DGAT1 (0.43) HRH3CHRNB2CHRNA7CHRNA4PDE4B
SCHEMBL601775 0.76 DGAT1 (0.43) HRH3CHRNB2CHRNA7CHRNA4PDE4B
SCHEMBL24244964 0.76 L3MBTL1 (0.54) HRH3SCN1ASCN2ASCN3ACYP2C9

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 HRH3 1175/4885CHRNB2 1100/4885CHRNA7 813/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HRH3 1175/4885CHRNB2 1100/4885CHRNA7 813/4885

“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.