SCHEMBL796697

SCHEMBL796697

O=C(O)N1CC(COc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRNA7 P36544 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
GRM2 Q14416 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TEAD1 P28347 1/20 0.43
TEAD3 Q99594 1/20 0.43
PDK1 Q15118 1/20 0.43

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
SCHEMBL29878374 0.85 CHRNA7 (0.40) MEN1KMT2ACHRNA7GRM2GRIN2D
SCHEMBL21618407 0.85 CHRNA7 (0.50) KMT2ACHRNA7GRM2ALDH1A1PDK1
SCHEMBL796332 0.83 GRIN2D (0.55) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL17560097 0.82 GLA (0.42) CHRNA7PARP15PARP10PARP2
SCHEMBL796329 0.81 NAMPT (0.54) CHRNA7
SCHEMBL31381192 0.80 GRM2 (0.53) KMT2AGRM2ALDH1A1LMNA
SCHEMBL4147217 0.80 RBP4 (0.44) CHRNA7
SCHEMBL14318704 0.79 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1GRIN2D
SCHEMBL17560100 0.78 MAOB (0.57) MEN1KMT2AALDH1A1
SCHEMBL28086919 0.77 RBP4 (0.42) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4842/4885KMT2A 3938/4885CHRNA7 813/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 MEN1 4842/4885KMT2A 3938/4885CHRNA7 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.