SCHEMBL4778065

SCHEMBL4778065

Cn1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
LTA4H P09960 2/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL4793668 0.97 HCRTR1 (0.44) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4794964 0.84 HCRTR1 (0.44) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4771866 0.81 HCRTR1 (0.44) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4768695 0.78 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL5068144 0.78 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2LTA4H
SCHEMBL4773029 0.76 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4777203 0.75 HCRTR1 (0.54) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4775769 0.74 KDM4E (0.44) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL4777315 0.73 HCRTR1 (0.46) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A
SCHEMBL8256535 0.73 HTR2A (0.42) HCRTR1HCRTR2KDM4ESMN1; SMN2HTR2A

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.