SCHEMBL4777203

SCHEMBL4777203

O=C(c1ccccc1-c1ccccc1)N(CCCOc1ccc(F)cc1)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.54
HCRTR2 O43614 5/20 0.54
AGER Q15109 2/20 0.42
MTNR1A P48039 1/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
LTA4H P09960 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2A P28223 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
SCHEMBL5068144 0.97 HCRTR1 (0.52) HCRTR1HCRTR2KCNH2SLC6A2SLC6A4
SCHEMBL5067298 0.93 HCRTR1 (0.47) HCRTR1HCRTR2AGERMTNR1AKCNH2
SCHEMBL5067299 0.92 TUBB4A (0.47) HCRTR1HCRTR2KCNH2SLC6A4TRPM8
SCHEMBL4777315 0.90 HCRTR1 (0.46) HCRTR1HCRTR2KCNH2SLC6A2SLC6A4
SCHEMBL5067295 0.89 TUBB4A (0.47) HCRTR1HCRTR2KCNH2SLC6A4KDM4E
SCHEMBL4791855 0.87 HCRTR1 (0.42) HCRTR1HCRTR2AGERMTNR1AKCNH2
SCHEMBL4795670 0.86 HCRTR1 (0.43) HCRTR1HCRTR2HTR2A
SCHEMBL4777235 0.85 HCRTR1 (0.44) HCRTR1HCRTR2AGERMTNR1ATRPM8
SCHEMBL4771763 0.83 KDM4E (0.44) HCRTR1HCRTR2AGERMTNR1ATRPM8
SCHEMBL4773882 0.83 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2FFAR4

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 6 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
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 1/4885AGER 2135/4885

“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.