SCHEMBL4241941

SCHEMBL4241941

Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(Nc3nc4ccc(F)c(F)c4o3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
GFER P55789 2/20 0.41
KMT2A Q03164 2/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK7 P50613 3/20 0.37
CCNH P51946 3/20 0.37
MNAT1 P51948 3/20 0.37
CCNK O75909 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
SSTR5 P35346 2/20 0.36
MAPK10 P53779 4/20 0.35
PDK2 Q15119 1/20 0.35
SYK P43405 1/20 0.35
MEN1 O00255 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL4241934 1.00 HCRTR1 (0.44) HCRTR1HCRTR2GFERKMT2ACCNA2
SCHEMBL4385982 0.93 HCRTR1 (0.40) HCRTR1HCRTR2GFERKMT2ACCNA2
SCHEMBL8224528 0.90 HCRTR1 (0.46) HCRTR1HCRTR2GFERCCNA2CDK2
SCHEMBL4249000 0.88 GFER (0.42) GFERKMT2ACCNA2CDK2CDK7
SCHEMBL4249003 0.88 GFER (0.42) GFERKMT2ACCNA2CDK2CDK7
SCHEMBL8224313 0.88 MGLL (0.42)
SCHEMBL8227626 0.87 GFER (0.45) HCRTR1HCRTR2GFERKMT2ACCNA2
SCHEMBL3658087 0.86 GFER (0.45) HCRTR1HCRTR2GFERKMT2ACCNA2
SCHEMBL3658092 0.86 GFER (0.45) HCRTR1HCRTR2GFERKMT2ACCNA2
SCHEMBL4242378 0.85 HCRTR1 (0.45) HCRTR1HCRTR2GFERKMT2ACCNA2

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 4 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 claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
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 HCRTR1 1/4885HCRTR2 2/4885GFER 607/4885

“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.