SCHEMBL4792568

SCHEMBL4792568

CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 1.00
HCRTR2 O43614 16/20 1.00
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 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
SCHEMBL4793114 0.93 HCRTR1 (0.87) HCRTR1HCRTR2KDM4ESMN1; SMN2ATP4A
SCHEMBL4768122 0.91 HCRTR1 (0.84) HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL4842824 0.90 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL4795204 0.88 HCRTR1 (0.79) HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL4792563 0.88 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4793604 0.86 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL4768695 0.85 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4773029 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4795370 0.82 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL4795690 0.80 HCRTR1 (0.66) HCRTR1HCRTR2SMN1; 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 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 1/4885KDM4E 2192/4885

“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.