SCHEMBL4242374

SCHEMBL4242374

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.45
HCRTR2 O43614 5/20 0.45
SSTR5 P35346 2/20 0.41
PROKR1 Q8TCW9 2/20 0.40
GFER P55789 1/20 0.39
SCD O00767 1/20 0.39
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
FBP1 P09467 1/20 0.38
PTGES O14684 1/20 0.38
KMT2A Q03164 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
SCHEMBL4242378 1.00 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5PROKR1GFER
SCHEMBL4238399 0.92 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL4238394 0.92 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL3658092 0.91 GFER (0.45) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL3658087 0.91 GFER (0.45) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL4238122 0.89 MGLL (0.48) HCRTR1HCRTR2SSTR5SCDPTGES
SCHEMBL4238127 0.89 MGLL (0.48) HCRTR1HCRTR2SSTR5SCDPTGES
SCHEMBL8224320 0.89 HCRTR1 (0.48) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL8227147 0.87 SSTR5 (0.46) HCRTR1HCRTR2SSTR5GFERCCNK
SCHEMBL8223883 0.87 HCRTR1 (0.48) HCRTR1HCRTR2SSTR5GFERCCNK

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 8 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-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
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.