SCHEMBL142890

SCHEMBL142890

CCOC(=O)CCCN(CCCOC(=O)CC)c1ccc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
LTA4H P09960 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37
NLRP3 Q96P20 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
DNM1 Q05193 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9830935 0.77 SMN1; SMN2 (0.43) ALOX5LTA4HSMN1; SMN2PPARGNLRP3
SCHEMBL2502597 0.76 NLRP3 (0.43) ALOX5SMN1; SMN2PDE3BPDE3AP2RY12
SCHEMBL9830274 0.75 SMN1; SMN2 (0.44) ALOX5LTA4HSMN1; SMN2NLRP3KDM4E
SCHEMBL20836328 0.74 ALDH1A1 (0.42) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL14947362 0.72 SMN1; SMN2 (0.51) ALOX5SMN1; SMN2PPARGL3MBTL1MAPT
SCHEMBL11207883 0.72 LTA4H (0.43) LTA4HSMN1; SMN2PPARGL3MBTL1KDM4E
SCHEMBL27640775 0.71 NAAA (0.57) L3MBTL1BRD4DNM1HTT
SCHEMBL16212493 0.70 SMN1; SMN2 (0.50) ALOX5SMN1; SMN2MAPTHPGDMEN1
SCHEMBL24263935 0.70 HTT (0.44) PPARGL3MBTL1MAPTMEN1KMT2A
SCHEMBL1252550 0.69 MAPT (0.50) ALOX5SMN1; SMN2MAPTHPGDMEN1

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-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-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
EP-2448933-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) 2012-05-09 EP 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
WO-2011002696-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) 2011-01-06 WO 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 ALOX5 592/4885LTA4H 1192/4885SMN1; SMN2 2911/4885
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 ALOX5 532/4885LTA4H 1411/4885SMN1; SMN2 2645/4885

“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.