SCHEMBL4771804

SCHEMBL4771804

O=C(c1ccccc1OC(F)(F)F)N(CCCOc1ccc(F)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
HSD11B1 P28845 1/20 0.43
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
TRPM8 Q7Z2W7 2/20 0.40
EPHX2 P34913 1/20 0.39
CACNA1H O95180 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38
LTA4H P09960 1/20 0.38
CACNA1B Q00975 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
SCHEMBL4775758 0.97 FFAR4 (0.45) FFAR4HSD11B1HCRTR1HCRTR2TRPM8
SCHEMBL5068144 0.82 HCRTR1 (0.52) FFAR4HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL4775769 0.82 KDM4E (0.44) HCRTR1HCRTR2TRPM8CACNA1HKDM4E
SCHEMBL4777235 0.81 HCRTR1 (0.44) HCRTR1HCRTR2TRPM8CACNA1HKDM4E
SCHEMBL4775700 0.80 HCRTR1 (0.42) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4777315 0.79 HCRTR1 (0.46) FFAR4HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL4771763 0.79 KDM4E (0.44) HCRTR1HCRTR2TRPM8CACNA1HKDM4E
SCHEMBL4777203 0.79 HCRTR1 (0.54) FFAR4HCRTR1HCRTR2TRPM8KDM4E
SCHEMBL5067295 0.78 TUBB4A (0.47) FFAR4HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL4773910 0.77 HCRTR1 (0.43) HCRTR1HCRTR2TRPM8KDM4ESMN1; SMN2

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 303/4885HSD11B1 1687/4885HCRTR1 2/4885

“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.