SCHEMBL4777235

SCHEMBL4777235

O=C(c1ccccc1I)N(CCCOc1ccc(F)cc1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
HTR2A P28223 2/20 0.41
AGER Q15109 2/20 0.41
MTNR1A P48039 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
LTA4H P09960 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A9 P48067 1/20 0.40
CACNA1H O95180 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL4777203 0.85 HCRTR1 (0.54) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL4771763 0.85 KDM4E (0.44) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL4775758 0.84 FFAR4 (0.45) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL4773910 0.83 HCRTR1 (0.43) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL5067298 0.82 HCRTR1 (0.47) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL4791797 0.81 HTR2A (0.44) HCRTR1HCRTR2HTR2AAGERMTNR1A
SCHEMBL5067299 0.81 TUBB4A (0.47) HCRTR1HCRTR2HTR2ATRPM8SMN1; SMN2
SCHEMBL4791290 0.81 HCRTR2 (0.50) HCRTR1HCRTR2HTR2A
SCHEMBL4775769 0.81 KDM4E (0.44) HCRTR1HCRTR2HTR2ATRPM8LTA4H
SCHEMBL5068144 0.81 HCRTR1 (0.52) HCRTR1HCRTR2LTA4HSMN1; SMN2KDM4E

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 1/4885HTR2A 63/4885

“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.