SCHEMBL5070041

SCHEMBL5070041

CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
KCNH2 Q12809 4/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL4795516 0.88 HCRTR1 (0.61) HCRTR1HCRTR2MAPTGAALMNA
SCHEMBL5070813 0.87 HCRTR1 (0.53) HCRTR1HCRTR2MAPTLMNAKMT2A
SCHEMBL4773935 0.84 HCRTR1 (0.51) HCRTR1HCRTR2MAPTLMNAALOX5AP
SCHEMBL14050513 0.84 HCRTR1 (0.51) HCRTR1HCRTR2MAPTLMNAALOX5AP
SCHEMBL4777223 0.83 HCRTR1 (0.54) HCRTR1HCRTR2MAPTLMNAALOX5AP
SCHEMBL5067297 0.80 HCRTR2 (0.55) HCRTR1HCRTR2MAPTLMNAALOX5AP
SCHEMBL4771849 0.80 HCRTR1 (0.53) HCRTR1HCRTR2MAPTLMNAALOX5AP
SCHEMBL4770395 0.79 HCRTR1 (0.57) HCRTR1HCRTR2MAPTLMNAKMT2A
SCHEMBL4771755 0.77 HCRTR1 (0.55) HCRTR1HCRTR2MAPTLMNAL3MBTL1
SCHEMBL4779032 0.77 HCRTR1 (0.55) HCRTR1HCRTR2MAPTLMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US claimed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885MAPT 879/4885

“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.