SCHEMBL4779032

SCHEMBL4779032

CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LTA4H P09960 2/20 0.44
CACNA1H O95180 1/20 0.42
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
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
FAAH O00519 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) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL5067320 0.86 HCRTR1 (0.55) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4771755 0.86 HCRTR1 (0.55) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4768939 0.85 HCRTR1 (0.54) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4795516 0.84 HCRTR1 (0.61) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4778180 0.84 LMNA (0.74) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4794646 0.82 HCRTR1 (0.52) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL5070813 0.81 HCRTR1 (0.53) HCRTR1HCRTR2MAPTLMNANPC1
SCHEMBL4777223 0.79 HCRTR1 (0.54) HCRTR1HCRTR2MAPTLMNASMN1; SMN2
SCHEMBL4771849 0.79 HCRTR1 (0.53) HCRTR1HCRTR2MAPTLMNASMN1; 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 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 HCRTR1 2/4885HCRTR2 1/4885MAPT 879/4885

“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.