SCHEMBL3043377

SCHEMBL3043377

CCN(CC)C(=O)n1cc(C=O)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
LTB4R2 Q9NPC1 8/20 0.46
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
APP P05067 2/20 0.40
EDNRA P25101 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERN1 O75460 1/20 0.39

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
SCHEMBL3035105 0.87 APP (0.40) LTB4RLTB4R2CCNB2CDK1CDK4
SCHEMBL3040972 0.82 LTB4R (0.41) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL3049904 0.80 BCHE (0.43) LTB4RLTB4R2APPMEN1ALDH1A1
SCHEMBL3048236 0.79 LTB4R (0.39) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL3041250 0.78 APP (0.40) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL3041247 0.78 APP (0.40) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL3048085 0.78 ALK (0.54) LTB4RLTB4R2CCNB2CDK1CDK4
SCHEMBL5871651 0.74 P2RX4 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL9022885 0.73 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL2887045 0.71 KDM4E (0.45) LTB4RLTB4R2CCNB2CDK1CDK4

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 LTB4R 2125/4885LTB4R2 2063/4885CCNB2 2446/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP LTB4R 2125/4885LTB4R2 2063/4885CCNB2 2446/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP LTB4R 2125/4885LTB4R2 2063/4885CCNB2 2446/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 LTB4R 3129/4885LTB4R2 3350/4885CCNB2 2898/4885

“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.