SCHEMBL796552

SCHEMBL796552

CC(C)(C)OC(=O)N1CCC(CSc2ccccc2)CC1.O=C(O)N1CCC(CSc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
GPR119 Q8TDV5 7/20 0.53
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STS P08842 1/20 0.48
TGFBR1 P36897 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LIMK2 P53671 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL4248138 0.96 KDM4E (0.60) KDM4EPKMGPR119GAATHRB
SCHEMBL9023290 0.89 KDM4E (0.55) KDM4EPKMGPR119GAATHRB
SCHEMBL15477388 0.86 SMN1; SMN2 (0.48) PKMSMN1; SMN2
SCHEMBL8444736 0.85 KDM4E (0.59) KDM4EPKMGPR119GAATHRB
SCHEMBL5453826 0.84 GPR119 (0.51) KDM4EPKMGPR119THRB
SCHEMBL23329642 0.83 ALDH1A1 (0.59) KDM4EPKMGPR119STSTGFBR1
SCHEMBL17942453 0.83 GPR119 (0.51) KDM4EPKMGPR119TGFBR1MEN1
SCHEMBL25572016 0.82 TGFBR1 (0.52) KDM4EPKMGPR119THRBSTS
SCHEMBL1474954 0.80 KDM4E (0.53) KDM4EPKMGPR119GAATHRB
SCHEMBL7872006 0.80 KDM4E (0.58) KDM4EPKMGPR119GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 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 (1 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 KDM4E 3067/4885PKM 1412/4885GPR119 474/4885

“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.