SCHEMBL5861592

SCHEMBL5861592

O=C(O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACE P12821 2/20 0.40
LTA4H P09960 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
SCHEMBL7005997 1.00 AGTR2 (0.43) AGTR2SMN1; SMN2ALDH1A1ACELTA4H
SCHEMBL5860558 0.83 AGTR2 (0.46) AGTR2SMN1; SMN2ALDH1A1ACELTA4H
SCHEMBL5860590 0.82 KDM4E (0.39) ALDH1A1
SCHEMBL5861779 0.80 GAA (0.47) ALDH1A1
SCHEMBL5860179 0.77 MEN1 (0.39) ALDH1A1
SCHEMBL22333647 0.74 AGTR2 (0.60) AGTR2LTA4H
SCHEMBL22333690 0.74 AGTR2 (0.60) AGTR2LTA4H
SCHEMBL7004971 0.71 ELANE (0.38) ALDH1A1
SCHEMBL5511534 0.70 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL6437308 0.69 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1ACELTA4H

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 11 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-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 (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 AGTR2 815/4885SMN1; SMN2 3426/4885ALDH1A1 4382/4885

“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.