SCHEMBL796492

SCHEMBL796492

O=C(O)N1CCC(COCCC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
HTR2B P41595 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL15477299 0.84 CYP2C9 (0.35) NPC1ITGB3ITGA2BHTR2BCYP2C9
SCHEMBL17220200 0.81 HPGD (0.45)
SCHEMBL21070177 0.80 ALDH1A1 (0.35) TEAD1TEAD3ITGB3ITGA2BHTR2B
SCHEMBL796623 0.79 ALDH1A1 (0.36) ITGB3ITGA2BHTR2BHTR2AHTR2C
SCHEMBL30013612 0.79 ITGB3 (0.48) TEAD1TEAD3ITGB3ITGA2B
SCHEMBL27153790 0.79 ITGB3 (0.48) TEAD1TEAD3ITGB3ITGA2B
SCHEMBL21070736 0.79 DRD2 (0.34) TEAD1TEAD3ITGB3ITGA2BHTR2B
SCHEMBL27499948 0.78 DRD2 (0.36) TEAD1TEAD3ITGB3ITGA2BHTR2B
SCHEMBL6134733 0.76 ALDH1A1 (0.38) HTR2BDRD2HTR2AHTR2CSIGMAR1
SCHEMBL27150060 0.76 ITGB3 (0.47) ITGB3ITGA2B

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 NPC1 3204/4885JAK2 409/4885JAK1 1381/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NPC1 3204/4885JAK2 409/4885JAK1 1381/4885

“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.