SCHEMBL8218917

SCHEMBL8218917

Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(Nc3cnc4cc(F)c(F)cc4n3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
GFER P55789 2/20 0.44
JAK3 P52333 3/20 0.41
KMT2A Q03164 1/20 0.41
CCNK O75909 5/20 0.40
CDK12 Q9NYV4 5/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK7 P50613 3/20 0.40
CCNH P51946 3/20 0.40
MNAT1 P51948 3/20 0.40
SYK P43405 3/20 0.40

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
SCHEMBL8227851 0.92 HCRTR1 (0.47) HCRTR1HCRTR2GFERJAK3KMT2A
SCHEMBL13769937 0.92 HCRTR1 (0.47) HCRTR1HCRTR2GFERJAK3KMT2A
SCHEMBL3804193 0.91 GFER (0.47) HCRTR1HCRTR2GFERJAK3CCNK
SCHEMBL7271923 0.91 GFER (0.47) HCRTR1HCRTR2GFERJAK3CCNK
SCHEMBL4245731 0.90 HCRTR1 (0.52) HCRTR1HCRTR2JAK3CCNKCDK12
SCHEMBL4245733 0.90 HCRTR1 (0.52) HCRTR1HCRTR2JAK3CCNKCDK12
SCHEMBL3803959 0.90 HCRTR1 (0.45) HCRTR1HCRTR2GFERJAK3KMT2A
SCHEMBL3807085 0.90 HCRTR1 (0.45) HCRTR1HCRTR2GFERJAK3KMT2A
SCHEMBL7271941 0.90 HCRTR1 (0.45) HCRTR1HCRTR2GFERJAK3KMT2A
SCHEMBL7270805 0.90 HCRTR1 (0.45) HCRTR1HCRTR2GFERJAK3KMT2A

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 5 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
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO 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 2/4885GFER 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.