SCHEMBL4238399

SCHEMBL4238399

Cc1ccc(C(C)(C)C)c(C(=O)N2CCC(Nc3nc4ccc(Cl)cc4o3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.45
HCRTR2 O43614 7/20 0.45
SSTR5 P35346 2/20 0.42
FBP1 P09467 1/20 0.40
CCNK O75909 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
MNAT1 P51948 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL4238394 1.00 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL4242378 0.92 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL4242374 0.92 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL8224320 0.90 HCRTR1 (0.48) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL8223883 0.88 HCRTR1 (0.48) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL8227147 0.88 SSTR5 (0.46) HCRTR1HCRTR2SSTR5FBP1CCNK
SCHEMBL8223857 0.87 SSTR5 (0.46) HCRTR1HCRTR2SSTR5GFER
SCHEMBL8218039 0.85 CCNK (0.50) HCRTR1HCRTR2SSTR5CCNKCCNA2
SCHEMBL8224268 0.85 SSTR5 (0.46) HCRTR1HCRTR2SSTR5CCNKCCNA2
SCHEMBL8227080 0.85 SSTR5 (0.46) HCRTR1HCRTR2SSTR5CCNKCCNA2

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 HCRTR1 1/4885HCRTR2 2/4885SSTR5 248/4885

“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.