SCHEMBL2472495

SCHEMBL2472495

COC(=O)CCCN(C(=O)OC(C)C)c1c(C)cc(Br)cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MLYCD O95822 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
ADAM17 P78536 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2472493 0.76 NR4A2 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL4768428 0.74 MLYCD (0.34) MLYCDHDAC1HDAC6TSHR
SCHEMBL3530650 0.74 NR4A2 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3535482 0.70 CA12 (0.35) MLYCDHDAC1HDAC6MAPT
SCHEMBL2478823 0.69 MLYCD (0.36) MLYCD
SCHEMBL3537718 0.69 ALOX5 (0.34) KDM4EALDH1A1KMT2AHSD17B10CYP1A2
SCHEMBL4768305 0.68 MLYCD (0.34) MLYCDTSHR
SCHEMBL3530598 0.67 MLYCD (0.38) ALDH1A1MEN1KMT2AMLYCDMAPT
SCHEMBL2478961 0.66 MAPT (0.35) KDM4EMEN1KMT2AHSD17B10MAPT
SCHEMBL19511326 0.63 FFAR4 (0.46) MEN1KMT2AMAPTTSHR

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-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
EP-1761522-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 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 (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-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP KDM4E 959/4885ALDH1A1 4410/4885MEN1 3703/4885
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia APOB, LIPC, PCSK9 KDM4E 2226/4885ALDH1A1 1541/4885MEN1 1329/4885

“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.