SCHEMBL796150

SCHEMBL796150

CN(c1ccccc1)c1nc(N)nc(-c2noc(C(=O)N3CC(Oc4ccc(F)cc4)C3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.40
KCNH2 Q12809 10/20 0.40
SCD O00767 2/20 0.38
SCD5 Q86SK9 1/20 0.36
SCN9A Q15858 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL796103 0.87 SCD5 (0.39) SCDSCD5MEN1KMT2A
SCHEMBL796205 0.81 SMN1; SMN2 (0.40) MCHR1KCNH2MEN1KMT2A
SCHEMBL15480830 0.80 CPT1A (0.34) MCHR1KCNH2SCDSCD5MEN1
SCHEMBL796478 0.80 CPT1A (0.34) MCHR1KCNH2SCDSCD5MEN1
SCHEMBL795899 0.80 SMN1; SMN2 (0.39) MCHR1KCNH2MEN1KMT2A
SCHEMBL797024 0.79 MAPT (0.44)
SCHEMBL795523 0.78 KCNH2 (0.36) MCHR1KCNH2SCD5
SCHEMBL15480829 0.78 KCNH2 (0.36) MCHR1KCNH2SCD5
SCHEMBL795475 0.78 KCNH2 (0.43) MCHR1KCNH2
SCHEMBL808327 0.78 ALDH1A1 (0.32) MCHR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
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-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US 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-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 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
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 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 MCHR1 2594/4885KCNH2 830/4885SCD 3229/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MCHR1 2594/4885KCNH2 830/4885SCD 3229/4885

“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.