SCHEMBL4842824

SCHEMBL4842824

Cc1nc(C(=O)N(CCCOc2ccc(F)cc2)Cc2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.82
HCRTR2 O43614 13/20 0.82
CACNA1B Q00975 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PIN1 Q13526 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
SCHEMBL4792568 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4768122 0.90 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL4793114 0.90 HCRTR1 (0.87) HCRTR1HCRTR2
SCHEMBL4795204 0.86 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL4792563 0.86 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4793604 0.85 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL3647711 0.83 HCRTR1 (0.57) HCRTR1HCRTR2PIN1
SCHEMBL3640315 0.83 HCRTR1 (0.60) HCRTR1HCRTR2PIN1
SCHEMBL4768695 0.83 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4773029 0.82 HCRTR1 (0.72) HCRTR1HCRTR2

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
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 HCRTR1 2/4885HCRTR2 1/4885CACNA1B 1778/4885

“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.