SCHEMBL109461

SCHEMBL109461

CCOC(=O)C1CCN(C(=O)OC(C)(C)C)c2c(C)cc(C)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
GPR119 Q8TDV5 1/20 0.37
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 2/20 0.35
RECQL P46063 1/20 0.33

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
SCHEMBL108497 0.89 LMNA (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL15204181 0.78 MAPT (0.34) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3543973 0.77 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20614801 0.76 GAA (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL15204182 0.73
SCHEMBL949514 0.72 MAPT (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL949516 0.72 MAPT (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7220081 0.71 MAPT (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4875356 0.70 MAPT (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20955890 0.70 MAPT (0.43) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448933-B1 TRANS-4-[[(5S)-5-[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHYL](2-METHYL-2H-TETRAZOL-5-YL)AMINO]-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL]METHYL]-CYCLOHEXANECARBOXYLIC ACID LILLY CO ELI (US) 2013-08-28 EP disclosed
US-8329688-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-12-11 US disclosed
US-8329688-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-12-11 US disclosed
US-8299060-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-8299060-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-03-08 US disclosed
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-03-08 US disclosed
US-20100331309-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2010-12-30 US disclosed
US-20100331309-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2010-12-30 US 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-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NT5C, HTR5A MEN1 935/4885KMT2A 1446/4885ALDH1A1 789/4885
US-20100331309-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GRIK5, NT5C MEN1 913/4885KMT2A 1565/4885ALDH1A1 740/4885

“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.