SCHEMBL796595

SCHEMBL796595

CC(C)(C)OC(=O)N1CCC(=CCC(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 1/20 0.43
ESR2 Q92731 1/20 0.40
ADORA1 P30542 2/20 0.40
NR1H2 P55055 1/20 0.39
MAPT P10636 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HPGD P15428 1/20 0.38
DTYMK P23919 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL3714994 0.83 USP2 (0.47) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL2454099 0.83 USP2 (0.47) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL17282284 0.83 USP2 (0.47) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL7972047 0.82 GRM5 (0.47) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL7985942 0.82 USP2 (0.46) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL7492580 0.81 USP2 (0.45) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL598583 0.81 USP2 (0.45) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL18711868 0.80 GRM5 (0.48) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL30897992 0.80 USP2 (0.50) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL8894365 0.79 USP2 (0.44) USP2SMN1; SMN2GRM5ESR2ADORA1

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 USP2 3711/4885SMN1; SMN2 1684/4885GRM5 67/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 USP2 3711/4885SMN1; SMN2 1684/4885GRM5 67/4885

“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.