SCHEMBL108497

SCHEMBL108497

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 2/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSP90AA1 P07900 1/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 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
SCHEMBL109461 0.89 MEN1 (0.44) LMNANPSR1EPHX2GPR119KDM4E
SCHEMBL6349458 0.75 GABRA1 (0.40) PDE4APDE4BPDE4CPDE4DUCHL1
SCHEMBL18039817 0.74 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL931636 0.71 PTPN2 (0.33) LMNANPSR1PDE4APDE4BPDE4C
SCHEMBL931637 0.71 STS (0.34) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL15204158 0.70 KDM1A (0.34) LMNANPSR1EPHX2PDE4APDE4B
SCHEMBL15204157 0.70 KDM1A (0.34) LMNANPSR1EPHX2PDE4APDE4B
SCHEMBL7753041 0.70 SMN1; SMN2 (0.45) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL26663249 0.67 PDE4B (0.45) LMNANPSR1PDE4APDE4BPDE4C
SCHEMBL20614801 0.67 GAA (0.40) LMNANPSR1GPR119KDM4EMAPT

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 LMNA 1170/4885NPSR1 2141/4885EPHX2 3782/4885
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 LMNA 1075/4885NPSR1 1854/4885EPHX2 4264/4885

“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.