SCHEMBL8227147

SCHEMBL8227147

Cc1ccc(C(=O)N2CC[C@@H](Nc3nc4ccc(Cl)cc4o3)C2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.46
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
AURKA O14965 2/20 0.44
FBP1 P09467 1/20 0.43
GFER P55789 2/20 0.42
KMT2A Q03164 2/20 0.42
CCNK O75909 5/20 0.41
CDK12 Q9NYV4 5/20 0.41
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CDK7 P50613 5/20 0.41
CCNH P51946 5/20 0.41
MNAT1 P51948 5/20 0.41
PDE2A O00408 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8223859 0.93 SSTR5 (0.47) SSTR5HCRTR1HCRTR2AURKAFBP1
SCHEMBL8223883 0.93 HCRTR1 (0.48) SSTR5HCRTR1HCRTR2AURKAFBP1
SCHEMBL8224320 0.91 HCRTR1 (0.48) SSTR5HCRTR1HCRTR2AURKAFBP1
SCHEMBL8218039 0.90 CCNK (0.50) SSTR5HCRTR1HCRTR2ALDH1A1AURKA
SCHEMBL8227080 0.90 SSTR5 (0.46) SSTR5HCRTR1HCRTR2CCNKCDK12
SCHEMBL8223857 0.89 SSTR5 (0.46) SSTR5HCRTR1HCRTR2ALDH1A1GFER
SCHEMBL8225977 0.88 SSTR5 (0.46) SSTR5HCRTR1HCRTR2ALDH1A1
SCHEMBL8224268 0.88 SSTR5 (0.46) SSTR5HCRTR1HCRTR2AURKAGFER
SCHEMBL4238399 0.88 HCRTR1 (0.45) SSTR5HCRTR1HCRTR2FBP1GFER
SCHEMBL4238394 0.88 HCRTR1 (0.45) SSTR5HCRTR1HCRTR2FBP1GFER

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

“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.