SCHEMBL5860157

SCHEMBL5860157

CCOC(=O)C(c1ccc2ccccc2c1)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
GLA P06280 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5511534 0.88 ALDH1A1 (0.40) MAPTNPC1ALDH1A1RAB9ANPBWR1
SCHEMBL17583661 0.74 CYP2D6 (0.52) GAAALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL5862720 0.70 MMP8 (0.45) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL6378903 0.69 MMP8 (0.50) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9570492 0.69 MAPT (0.39) MAPTNPC1ALDH1A1RAB9ANPBWR1
SCHEMBL17583646 0.69 CYP2D6 (0.49) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15341770 0.68 AKR1C3 (0.54) GAAALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL5878417 0.68 AKR1C3 (0.54) GAAALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL27734602 0.67 AKR1C3 (0.52) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5860496 0.67 CYP2D6 (0.50) GAACYP2D6SLC6A2SLC6A4SLC6A3

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 15 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-20050143318-A1 Growth hormone secretagogues DODGE JEFFREY A (US) 2005-06-30 US disclosed
US-6828331-B1 Non-peptidyl in nature and are, therefore, more metabolically stable than growth hormone, growth hormone releasing hormone, or analogs of either of these proteins ELI LILLY AND COMPANY 2004-12-07 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-1153034-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000049037-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-08-24 WO 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

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-20050143318-A1 Growth hormone secretagogues GHSR, GHRHR, SSTR3 GAA 4080/4885MAPT 4739/4885NPC1 2703/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH GAA 251/4885MAPT 4706/4885NPC1 3004/4885

“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.