SCHEMBL4795690

SCHEMBL4795690

Cc1nc(C(=O)NCCCOc2ccc(F)cc2)c(-c2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.66
HCRTR2 O43614 12/20 0.66
MAPT P10636 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5067646 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL4795204 0.81 HCRTR1 (0.79) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL4792568 0.80 HCRTR1 (1.00) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL4793114 0.79 HCRTR1 (0.87) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL4768122 0.79 HCRTR1 (0.84) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL4768695 0.78 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4842824 0.78 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL4773029 0.77 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4792563 0.76 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4793604 0.75 HCRTR1 (0.76) HCRTR1HCRTR2

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
EP-1871752-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-01-02 EP claimed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 WO claimed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US 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.