Sugi Predict

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SCHEMBL795576

SCHEMBL795576

CC(C)(C)OC(=O)N1CCC(c2nc(-c3nc(N)nc(Nc4ccccc4)n3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.45
▸ SMO Q99835 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 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
SCHEMBL795664 0.83 SMN1; SMN2 (0.43) GPR119SMOGAATHRBSMN1; SMN2
SCHEMBL1653518 0.81 TUBB4A (0.60) GPR119GAATHRBSMN1; SMN2TUBB4A
SCHEMBL2901393 0.79 TUBB4A (0.58) GPR119GAATHRBSMN1; SMN2TUBB4A
SCHEMBL15477232 0.78 USP30 (0.43) GPR119SMOGAATHRBSMN1; SMN2
SCHEMBL795398 0.78 LMNA (0.44) SMOGAASMN1; SMN2SCN9ATUBB4A
SCHEMBL796081 0.78 LMNA (0.42) GPR119SMOGAASMN1; SMN2SCN9A
SCHEMBL795300 0.78 LMNA (0.42) GPR119SMOGAASMN1; SMN2SCN9A
SCHEMBL31260537 0.77 HDAC4 (0.56) GPR119SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8146112 0.77 HCRTR1 (0.50) GPR119SMOGAATHRBSMN1; SMN2
SCHEMBL29891783 0.77 HCRTR1 (0.50) GPR119SMOGAATHRBSMN1; SMN2

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 11 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-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
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
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 GPR119 474/4885SMO 2083/4885GAA 3290/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GPR119 474/4885SMO 2083/4885GAA 3290/4885

“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.