SCHEMBL5511534

SCHEMBL5511534

CCOC(=O)C(c1ccccc1)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NPBWR1 P48145 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.40
TSHR P16473 1/20 0.39
MMP8 P22894 1/20 0.39
CYP2D6 P10635 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CYP3A4 P08684 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MITF O75030 1/20 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
SCHEMBL5860157 0.88 GAA (0.37) ALDH1A1KDM4ENPC1MAPTNPBWR1
SCHEMBL5860179 0.83 MEN1 (0.39) ALDH1A1KDM4EMAPTCYP2D6CYP1A2
SCHEMBL5862720 0.79 MMP8 (0.45) ALDH1A1KDM4ENPC1MAPTNPBWR1
SCHEMBL5860590 0.75 KDM4E (0.39) ALDH1A1KDM4EMAPTTSHRCYP2D6
SCHEMBL7004971 0.75 ELANE (0.38) ALDH1A1TSHRCYP2D6LMNACYP1A2
SCHEMBL29299764 0.74 MAPT (0.56) ALDH1A1KDM4EMAPTRAB9ACYP2D6
SCHEMBL5861779 0.73 GAA (0.47) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL9570492 0.73 MAPT (0.39) ALDH1A1NPC1MAPTNPBWR1RAB9A
SCHEMBL2310025 0.72 LMNA (0.62) ALDH1A1NPC1TSHRMMP8CYP2D6
SCHEMBL9146625 0.72 MEN1 (0.33) ALDH1A1LMNAMEN1KMT2ACNR1

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-1153034-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2007-10-17 EP disclosed
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-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008699-A1 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 ALDH1A1 4506/4885KDM4E 3442/4885NPC1 2703/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH ALDH1A1 4382/4885KDM4E 3260/4885NPC1 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.