SCHEMBL4771849

SCHEMBL4771849

CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1-c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PPARG P37231 1/20 0.39
LTA4H P09960 3/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SLC6A9 P48067 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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 0.87 HCRTR1 (0.61) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL5070813 0.85 HCRTR1 (0.53) HCRTR1HCRTR2LMNAMAPTALOX5AP
SCHEMBL4777223 0.83 HCRTR1 (0.54) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4771771 0.82 HCRTR1 (0.49) HCRTR1HCRTR2LMNAMAPTTRPM8
SCHEMBL5067297 0.82 HCRTR2 (0.55) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL14050513 0.82 HCRTR1 (0.51) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4773935 0.82 HCRTR1 (0.51) HCRTR1HCRTR2LMNAMAPTALOX5AP
SCHEMBL4770395 0.81 HCRTR1 (0.57) HCRTR1HCRTR2LMNAMAPTTRPM8
SCHEMBL5070041 0.80 HCRTR1 (0.49) HCRTR1HCRTR2LMNAMAPTALOX5AP
SCHEMBL14052367 0.80 KEAP1 (0.50) HCRTR1HCRTR2MAPTSMN1; SMN2ALOX5AP

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 1/4885LMNA 3175/4885

“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.