SCHEMBL506912

SCHEMBL506912

CC(COCc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.53
CTSS P25774 4/20 0.50
CTSK P43235 3/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CACNA1B Q00975 2/20 0.40
SCN9A Q15858 1/20 0.39
HTT P42858 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
SCHEMBL506911 1.00 PPARA (0.55) PPARAPPARGCTSSCTSKMEN1
SCHEMBL506388 0.86 PPARA (0.67) PPARAPPARGCTSSCTSKKLK7
SCHEMBL506387 0.86 PPARA (0.67) PPARAPPARGCTSSCTSKKLK7
SCHEMBL23390363 0.86 PPARA (0.67) PPARAPPARGCTSSCTSKKLK7
SCHEMBL1374896 0.85 PPARA (0.76) PPARAPPARGCTSSCTSKKLK7
SCHEMBL1374891 0.85 PPARA (0.76) PPARAPPARGCTSSCTSKKLK7
SCHEMBL5001071 0.85 PPARA (0.76) PPARAPPARGCTSSCTSKKLK7
SCHEMBL22412038 0.82 PPARA (0.46) PPARAPPARGCTSSCTSKKLK7
SCHEMBL22412036 0.82 PPARA (0.46) PPARAPPARGCTSSCTSKKLK7
SCHEMBL24700440 0.82 PPARA (0.43) PPARAPPARGCTSSCTSKLMNA

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
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PPARA 1888/4885PPARG 1057/4885CTSS 3485/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PPARA 2230/4885PPARG 976/4885CTSS 3179/4885

“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.