SCHEMBL4777223

SCHEMBL4777223

CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.54
HCRTR2 O43614 4/20 0.54
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
SLC6A2 P23975 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38

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) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL5070813 0.88 HCRTR1 (0.53) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL5067297 0.87 HCRTR2 (0.55) HCRTR1HCRTR2ALOX5APFEN1LMNA
SCHEMBL4773935 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL14050513 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL5070041 0.83 HCRTR1 (0.49) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL4771849 0.83 HCRTR1 (0.53) HCRTR1HCRTR2ALOX5APFEN1LMNA
SCHEMBL4770395 0.81 HCRTR1 (0.57) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL9195599 0.81 SLC6A2 (0.58) HCRTR1HCRTR2SLC6A4SLC6A3ALOX5AP
SCHEMBL4771755 0.79 HCRTR1 (0.55) HCRTR1HCRTR2LMNAMAPTKDM4E

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 7 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
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 1/4885SLC6A4 447/4885

“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.