SCHEMBL8229538

SCHEMBL8229538

Cc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 3/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
KMT2A Q03164 1/20 0.39
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CDK7 P50613 3/20 0.38
CCNH P51946 3/20 0.38
MNAT1 P51948 3/20 0.38
NLRP3 Q96P20 1/20 0.38
AURKA O14965 2/20 0.37
SCN9A Q15858 1/20 0.37
GFER P55789 1/20 0.37
SYK P43405 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
SCHEMBL8224268 0.91 SSTR5 (0.46) SSTR5HCRTR1HCRTR2KMT2ACCNK
SCHEMBL8224320 0.89 HCRTR1 (0.48) SSTR5HCRTR1HCRTR2KMT2ACCNK
SCHEMBL4246791 0.86 MGLL (0.45) SSTR5HCRTR1HCRTR2CCNKCDK12
SCHEMBL3657997 0.86 MGLL (0.45) SSTR5HCRTR1HCRTR2CCNKCDK12
SCHEMBL8218039 0.86 CCNK (0.50) SSTR5HCRTR1HCRTR2CCNKCDK12
SCHEMBL4245088 0.86 SCD (0.42) SSTR5HCRTR1HCRTR2RHOCRHOA
SCHEMBL4245082 0.86 SCD (0.42) SSTR5HCRTR1HCRTR2RHOCRHOA
SCHEMBL4242374 0.85 HCRTR1 (0.45) SSTR5HCRTR1HCRTR2KMT2ACCNK
SCHEMBL4242378 0.85 HCRTR1 (0.45) SSTR5HCRTR1HCRTR2KMT2ACCNK
SCHEMBL4238122 0.84 MGLL (0.48) SSTR5HCRTR1HCRTR2

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.