SCHEMBL4795670

SCHEMBL4795670

Cn1cc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 2/20 0.43
CLK2 P49760 1/20 0.43
LRRK2 Q5S007 1/20 0.43
HTR2A P28223 2/20 0.41
PDK2 Q15119 10/20 0.40
AXL P30530 2/20 0.38
MERTK Q12866 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
SCHEMBL4777203 0.86 HCRTR1 (0.54) HCRTR1HCRTR2HTR2A
SCHEMBL5067299 0.84 TUBB4A (0.47) HCRTR1HCRTR2HTR2A
SCHEMBL4791855 0.84 HCRTR1 (0.42) HCRTR1HCRTR2HTR2APDK2
SCHEMBL5067298 0.83 HCRTR1 (0.47) HCRTR1HCRTR2HTR2A
SCHEMBL5068144 0.83 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL5067295 0.81 TUBB4A (0.47) HCRTR1HCRTR2
SCHEMBL4777315 0.80 HCRTR1 (0.46) HCRTR1HCRTR2HTR2A
SCHEMBL5067294 0.80 HCRTR1 (0.55) HCRTR1HCRTR2HTR2A
SCHEMBL4771866 0.80 HCRTR1 (0.44) HCRTR1HCRTR2HTR2A
SCHEMBL4791290 0.79 HCRTR2 (0.50) HCRTR1HCRTR2HTR2A

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
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 1/4885CLK2 4240/4885

“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.