SCHEMBL5001271

SCHEMBL5001271

Cc1ccccc1COC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.67
PPARG P37231 4/20 0.65
CTSS P25774 5/20 0.55
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
ACE P12821 1/20 0.48
PPARD Q03181 2/20 0.47
PTPN1 P18031 5/20 0.47
CDC25B P30305 4/20 0.47
PTPN2 P17706 3/20 0.47
CDC25A P30304 2/20 0.47
CTSK P43235 4/20 0.47
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
IDO1 P14902 1/20 0.46
JAK2 O60674 1/20 0.46
S1PR4 O95977 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL5001274 1.00 PPARA (0.67) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007454 0.87 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5004856 0.87 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007456 0.87 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL7308326 0.87 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5004857 0.87 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007452 0.86 PPARA (0.65) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007447 0.86 PPARA (0.65) PPARAPPARGCTSSKLK7KLK5
SCHEMBL4996856 0.85 PPARA (0.64) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5001374 0.85 PPARA (0.64) PPARAPPARGCTSSKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852591-A1 L-MALATE SALT OF 2, 7 - DIAZA - SPIRO [4.5]DEC- 7 - YLE DERIVATIVES AND CRYSTALLINE FORMS THEREOF AS GHRELIN RECEPTOR AGONISTS Novartis AG (CH) 2015-04-01 EP disclosed
US-20130331369-A1 3-Spirocyclic Piperidine Derivatives as Ghrelin Receptor Agonists NOVARTIS AG (CH) 2013-12-12 US disclosed
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2013-11-07 US disclosed
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2013-11-07 US disclosed
WO-2013164790-A1 L-MALATE SALT OF 2, 7 - DIAZA - SPIRO [4.5 ] DEC- 7 - YLE DERIVATIVES AND CRYSTALLINE FORMS THEREOF AS GHRELIN RECEPTOR AGONISTS NOVARTIS AG (CH) 2013-11-07 WO disclosed
US-8546416-B2 3-spirocyclic piperidine derivatives as ghrelin receptor agonists NOVARTIS AG (CH) 2013-10-01 US disclosed
US-8546416-B2 3-spirocyclic piperidine derivatives as ghrelin receptor agonists NOVARTIS AG (CH) 2013-10-01 US disclosed
WO-2012164473-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-12-06 WO disclosed
WO-2012164473-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-12-06 WO disclosed
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2012-11-29 US disclosed
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2012-11-29 US disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1497316-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2005-01-19 EP disclosed
WO-2003087070-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-10-23 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 (3 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-20130331369-A1 3-Spirocyclic Piperidine Derivatives as Ghrelin Receptor Agonists GIPR, GHSR, GLP1R PPARA 93/4885PPARG 44/4885CTSS 2621/4885
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PPARA 93/4885PPARG 44/4885CTSS 2621/4885
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PPARA 93/4885PPARG 44/4885CTSS 2621/4885

“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.