SCHEMBL4775758

SCHEMBL4775758

O=C(c1ccccc1OC(F)(F)F)N(CCCOc1ccc(F)cc1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
TRPM8 Q7Z2W7 4/20 0.43
HSD11B1 P28845 1/20 0.42
HTR2A P28223 1/20 0.40
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A9 P48067 1/20 0.38
EPHX2 P34913 1/20 0.38
CACNA1H O95180 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 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
SCHEMBL4771804 0.97 FFAR4 (0.46) FFAR4HCRTR1HCRTR2TRPM8HSD11B1
SCHEMBL4777235 0.84 HCRTR1 (0.44) HCRTR1HCRTR2TRPM8HTR2AAGER
SCHEMBL4777203 0.82 HCRTR1 (0.54) FFAR4HCRTR1HCRTR2TRPM8HTR2A
SCHEMBL4771763 0.82 KDM4E (0.44) HCRTR1HCRTR2TRPM8HTR2AAGER
SCHEMBL4773910 0.80 HCRTR1 (0.43) HCRTR1HCRTR2TRPM8HTR2AAGER
SCHEMBL5067298 0.80 HCRTR1 (0.47) FFAR4HCRTR1HCRTR2TRPM8HTR2A
SCHEMBL4791797 0.79 HTR2A (0.44) HCRTR1HCRTR2TRPM8HTR2AAGER
SCHEMBL4791290 0.79 HCRTR2 (0.50) HCRTR1HCRTR2HTR2A
SCHEMBL5067299 0.79 TUBB4A (0.47) HCRTR1HCRTR2TRPM8HTR2ASLC6A4
SCHEMBL5068144 0.79 HCRTR1 (0.52) FFAR4HCRTR1HCRTR2SLC6A2SLC6A4

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 5 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

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 FFAR4 303/4885HCRTR1 2/4885HCRTR2 1/4885

“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.