SCHEMBL4240926

SCHEMBL4240926

Cc1ccc(Cl)c(C(=O)N2CCC(Nc3nc4cccc(F)c4o3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.40
AURKA O14965 7/20 0.40
HRH4 Q9H3N8 1/20 0.39
GPR6 P46095 3/20 0.39
RPS6KA2 Q15349 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
THRB P10828 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL4240923 1.00 GFER (0.40) GFERAURKAHRH4GPR6RPS6KA2
SCHEMBL4249003 0.90 GFER (0.42) GFERAURKAHRH4GPR6THRB
SCHEMBL4249000 0.90 GFER (0.42) GFERAURKAHRH4GPR6THRB
SCHEMBL8224528 0.88 HCRTR1 (0.46) GFERHRH4RPS6KA2ALDH1A1HCRTR1
SCHEMBL1463387 0.87 THRB (0.42) HCRTR1HCRTR2THRBMAPK10
SCHEMBL1463384 0.87 THRB (0.42) HCRTR1HCRTR2THRBMAPK10
SCHEMBL1463388 0.87 THRB (0.42) HCRTR1HCRTR2THRBMAPK10
SCHEMBL4244415 0.83 GFER (0.46) GFERGPR6HCRTR1HCRTR2
SCHEMBL4244423 0.83 GFER (0.46) GFERGPR6HCRTR1HCRTR2
SCHEMBL8224518 0.80 CYP2C9 (0.42) HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A GFER 607/4885AURKA 3244/4885HRH4 22/4885

“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.