SCHEMBL5862801

SCHEMBL5862801

CC(C)(C)OC(=O)N(OCc1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
PPARA Q07869 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
SYK P43405 1/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
PPARG P37231 1/20 0.37
LTA4H P09960 1/20 0.37
AKT1 P31749 2/20 0.37

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
SCHEMBL2944484 0.85 L3MBTL1 (0.50) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL28454492 0.85 SLC1A1 (0.39) L3MBTL1PPARAPPARGLTA4H
SCHEMBL8300754 0.82 L3MBTL1 (0.52) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL7616466 0.81 L3MBTL1 (0.51) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL15320116 0.81 NPSR1 (0.52) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL15318909 0.81 NPSR1 (0.52) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL5182680 0.81 TPSAB1 (0.47) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL1913579 0.79 L3MBTL1 (0.49) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL1913578 0.79 L3MBTL1 (0.49) L3MBTL1PPARANPSR1HDAC3HDAC1
SCHEMBL10677943 0.79 L3MBTL1 (0.46) L3MBTL1PPARANPSR1HDAC3HDAC1

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
US-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-6639076-B1 Such as 2-(2-amino-2-methylpropanoylamino)-n-(1-(2-oxo-1-phenyl-2-pyrrolidinylethyl -4-yl)-4-phenylbutanamide ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
US-4055553-A GLYCINE-ALANINE, POLYPEPTIDE, GROWTH HORMONE RELEASE INHIBITOR ION AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-25 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 (1 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-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH L3MBTL1 3050/4885PPARA 1477/4885NPSR1 123/4885

“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.