SCHEMBL5007480

SCHEMBL5007480

CC(C)(C)OC(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.57
PPARG P37231 6/20 0.55
PTPN1 P18031 1/20 0.49
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.45
ACE P12821 2/20 0.43
MME P08473 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARD Q03181 2/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
SCN9A Q15858 1/20 0.40
MAOB P27338 1/20 0.39
IDO1 P14902 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
SCHEMBL4767235 1.00 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007445 0.91 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007446 0.91 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL4768752 0.90 PPARA (0.47) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL6938507 0.90 PPARA (0.47) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007491 0.89 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5001277 0.89 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007488 0.89 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5001273 0.89 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004848 0.87 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK

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 21 patents — showing the first 20. 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-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
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-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497317-B1 DIPEPTIDIC GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-09-06 EP disclosed
US-20060167268-A1 Growth hormone secretagogues ELI LILLY AND COMPANY, PATENT DIVISION, (US) 2006-07-27 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
US-6673929-B2 Process for preparing growth hormone secretagogues PFIZER INC. 2004-01-06 US disclosed
US-20030158414-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2003-08-21 US disclosed
US-6541634-B2 Reacting a pyrazolo(4,3-a)pyridine compound with amine PFIZER INC. 2003-04-01 US disclosed
US-20020002283-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2002-01-03 US disclosed
EP-1031575-A1 Process for preparing growth hormone secretagogues Pfizer Products Inc. (US) 2000-08-30 EP 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 (6 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 44/4885PTPN1 730/4885
US-20020002283-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR PPARA 3080/4885PPARG 1843/4885PTPN1 2458/4885
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PPARA 93/4885PPARG 44/4885PTPN1 730/4885
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PPARA 93/4885PPARG 44/4885PTPN1 730/4885
US-20030158414-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR PPARA 3080/4885PPARG 1843/4885PTPN1 2458/4885
US-20060167268-A1 Growth hormone secretagogues GHSR, GHRHR, CRH PPARA 1477/4885PPARG 385/4885PTPN1 4043/4885

“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.