SCHEMBL5067320

SCHEMBL5067320

CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1H O95180 1/20 0.44
LTA4H P09960 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
FAAH O00519 2/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL4770395 0.88 HCRTR1 (0.57) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4779032 0.86 HCRTR1 (0.55) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4771755 0.86 HCRTR1 (0.55) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4768939 0.85 HCRTR1 (0.54) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4795516 0.84 HCRTR1 (0.61) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4778180 0.84 LMNA (0.74) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4794646 0.82 HCRTR1 (0.52) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL5070813 0.81 HCRTR1 (0.53) HCRTR1HCRTR2LMNAMAPTNPC1
SCHEMBL4777223 0.79 HCRTR1 (0.54) HCRTR1HCRTR2LMNAMAPTKDM4E
SCHEMBL4771849 0.79 HCRTR1 (0.53) HCRTR1HCRTR2LMNAMAPTKDM4E

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 4 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 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 HCRTR1 2/4885HCRTR2 1/4885LMNA 3175/4885

“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.