SCHEMBL2556786

SCHEMBL2556786

CC(C)(C)OC(=O)N1CCC(OCc2cccc(N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
KDM1A O60341 1/20 0.47
STS P08842 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
NR1H2 P55055 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 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
SCHEMBL15498138 0.93 PRMT5 (0.48) GPR119KDM1ASTSPRMT5WDR77
SCHEMBL27379752 0.88 GPR119 (0.50) GPR119KDM1ASTSPRMT5WDR77
SCHEMBL18280020 0.86 GPR119 (0.59) GPR119STSPRMT5WDR77
SCHEMBL14851987 0.86 CARM1 (0.55) GPR119STSPRMT5WDR77KDM4E
SCHEMBL29735456 0.86 GPR119 (0.59) GPR119STSPRMT5WDR77
SCHEMBL17554496 0.86 GPR119 (0.55) GPR119KDM1ASTSPRMT5
SCHEMBL3249107 0.86 STS (0.58) GPR119STSPRMT5WDR77KDM4E
SCHEMBL17560083 0.85 KDM1A (0.49) GPR119KDM1APRMT5
SCHEMBL30388656 0.85 KDM1A (0.49) GPR119KDM1APRMT5
SCHEMBL14852116 0.84 GPR119 (0.51) GPR119STSNR1H2KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993236-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Glaxosmithkline LLC (US) 2016-03-09 EP disclosed
EP-2993236-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Glaxosmithkline LLC (US) 2016-03-09 EP disclosed
US-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS GLAXOSMITHKLINE LLC 2013-04-25 US disclosed
US-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS GLAXOSMITHKLINE LLC 2013-04-25 US disclosed
EP-2558589-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Sirtris Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
WO-2011130595-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011130595-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 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-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRT1, SIRT7, SIRT2 GPR119 134/4885KDM1A 63/4885STS 361/4885

“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.