SCHEMBL3049904

SCHEMBL3049904

CCN(CC)C(=O)n1cc(Cc2ccc(OC)cc2)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.43
ABCB1 P08183 2/20 0.43
APP P05067 2/20 0.42
PLK1 P53350 1/20 0.41
TSPO P30536 2/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC5A2 P31639 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL3040972 0.91 LTB4R (0.41) APPLTB4RLTB4R2MEN1ALDH1A1
SCHEMBL3048236 0.88 LTB4R (0.39) APPLTB4RLTB4R2PPARGMEN1
SCHEMBL3043377 0.80 LTB4R (0.46) APPLTB4RLTB4R2MEN1ALDH1A1
SCHEMBL3036049 0.80 ABCB1 (0.52) BCHEABCB1SLC5A2
SCHEMBL13110390 0.77 SLC5A2 (0.59) SLC5A2
SCHEMBL3044869 0.74 SLC5A2 (0.43) SLC5A2
SCHEMBL3044875 0.74 SLC5A2 (0.42) SLC5A2
SCHEMBL3045606 0.72 HTR2A (0.39) BCHESLC5A2
SCHEMBL5871564 0.68 TSPO (0.54) ABCB1TSPOKMT2A
SCHEMBL3035105 0.68 APP (0.40) APPTSPOLTB4RLTB4R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (4 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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP BCHE 1539/4885ABCB1 2246/4885APP 3610/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP BCHE 1539/4885ABCB1 2246/4885APP 3610/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP BCHE 1539/4885ABCB1 2246/4885APP 3610/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 BCHE 2688/4885ABCB1 839/4885APP 4378/4885

“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.