SCHEMBL4995012

SCHEMBL4995012

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.76
PPARG P37231 6/20 0.73
CTSS P25774 2/20 0.58
CACNA1B Q00975 1/20 0.53
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
PPARD Q03181 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.47
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
CDC25B P30305 2/20 0.47
PTPN6 P29350 1/20 0.47
CDC25A P30304 1/20 0.47
PTPN11 Q06124 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSK P43235 1/20 0.46
ACE P12821 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
SCHEMBL4995001 1.00 PPARA (0.76) PPARAPPARGCTSSCACNA1BKLK7
SCHEMBL12130757 0.94 PPARA (0.85) PPARAPPARGCTSSKLK7KLK5
SCHEMBL22390633 0.90 PPARA (0.63) PPARAPPARGCTSSCACNA1BPPARD
SCHEMBL22390631 0.90 PPARA (0.63) PPARAPPARGCTSSCACNA1BPPARD
SCHEMBL14058699 0.89 PPARA (0.78) PPARAPPARGCTSSKLK7KLK5
SCHEMBL14058698 0.89 PPARA (0.78) PPARAPPARGCTSSKLK7KLK5
SCHEMBL14123546 0.89 PPARA (0.61) PPARAPPARGCTSSCACNA1BKLK7
SCHEMBL828674 0.88 PPARA (0.90) PPARAPPARGCTSSKLK7KLK5
SCHEMBL1132901 0.88 PPARA (0.90) PPARAPPARGCTSSKLK7KLK5
SCHEMBL17051 0.88 PPARA (0.90) 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 12 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
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-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2013-11-07 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
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.