SCHEMBL5861779

SCHEMBL5861779

CC1CCN(C(=O)C(c2ccccc2)c2nc([N+](=O)[O-])c[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HPGD P15428 4/20 0.39
ACHE P22303 2/20 0.39
SRD5A1 P18405 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5860590 0.88 KDM4E (0.39) HPGDALDH1A1MAPTKMT2ATSHR
SCHEMBL5860585 0.83 ACHE (0.42) GAAHPGDACHESRD5A1ALDH1A1
Hydrochloric Acid SCHEMBL5861744 0.82 ACHE (0.41) GAAHPGDACHESRD5A1ALDH1A1
SCHEMBL5861592 0.80 AGTR2 (0.43) ALDH1A1
SCHEMBL5860179 0.78 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13503945 0.76 ACHE (0.58) GAAHPGDACHESRD5A1ALDH1A1
SCHEMBL5511534 0.73 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL14400982 0.72 GAA (0.47) GAAHPGDACHEALDH1A1MAPT
SCHEMBL7004971 0.70 ELANE (0.38) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5861689 0.69 KDM4E (0.42) HPGDALDH1A1MAPTKMT2ATSHR

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 8 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
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US 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 GAA 251/4885HPGD 1031/4885ACHE 4201/4885

“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.