SCHEMBL1034423

SCHEMBL1034423

CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4cccc(C(=O)O)c4n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHEK2 O96017 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL12880985 0.88 PARP1 (0.48) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL1034151 0.76 PRKCZ (0.45) PARP1
SCHEMBL2969976 0.76 GPR119 (0.56) GPR119KDM4EMEN1KMT2ACHEK2
SCHEMBL30955036 0.76 GPR119 (0.56) GPR119KDM4EMEN1KMT2ACHEK2
SCHEMBL7455853 0.76 GPR119 (0.59) GPR119MEN1ALDH1A1KMT2ACHEK2
SCHEMBL3343336 0.75 GPR119 (0.64) GPR119
SCHEMBL23301265 0.75 GPR119 (0.58) GPR119KDM4EMEN1ALDH1A1HPGD
SCHEMBL30876497 0.75 GPR119 (0.57) GPR119MEN1KMT2ACHEK2KDM1A
SCHEMBL1809399 0.75 GPR119 (0.57) GPR119MEN1KMT2ACHEK2KDM1A
SCHEMBL5268593 0.74 GPR119 (0.65) GPR119KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GPR119 156/4885KDM4E 1791/4885MEN1 2841/4885

“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.