SCHEMBL4771763

SCHEMBL4771763

CN(C)c1ccccc1C(=O)N(CCCOc1ccc(F)cc1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 2/20 0.43
SLC6A9 P48067 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTR2A P28223 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
CACNA1H O95180 1/20 0.41
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40
FDPS P14324 1/20 0.39

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
SCHEMBL4775769 0.97 KDM4E (0.44) KDM4ESMN1; SMN2LTA4HSLC6A9HCRTR1
SCHEMBL4777235 0.85 HCRTR1 (0.44) KDM4ESMN1; SMN2LTA4HSLC6A9HCRTR1
SCHEMBL4777203 0.83 HCRTR1 (0.54) KDM4ESMN1; SMN2LTA4HHCRTR1HCRTR2
SCHEMBL4775758 0.82 FFAR4 (0.45) LTA4HSLC6A9HCRTR1HCRTR2HTR2A
SCHEMBL5067299 0.82 TUBB4A (0.47) SMN1; SMN2SLC6A9HCRTR1HCRTR2HTR2A
SCHEMBL4773910 0.81 HCRTR1 (0.43) KDM4ESMN1; SMN2LTA4HSLC6A9HCRTR1
SCHEMBL5067298 0.81 HCRTR1 (0.47) KDM4ESMN1; SMN2LTA4HSLC6A9HCRTR1
SCHEMBL4768939 0.80 HCRTR1 (0.54) KDM4ESMN1; SMN2LTA4HHCRTR1HCRTR2
SCHEMBL4791797 0.80 HTR2A (0.44) LTA4HSLC6A9HCRTR1HCRTR2HTR2A
SCHEMBL4791290 0.80 HCRTR2 (0.50) HCRTR1HCRTR2HTR2A

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 KDM4E 2192/4885SMN1; SMN2 2684/4885LTA4H 976/4885

“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.