SCHEMBL4242301

SCHEMBL4242301

COc1cccc(OC)c1C(=O)N1CC[C@@H](Nc2nc3ccc(C(F)(F)F)cc3s2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.51
HCRTR1 O43613 13/20 0.50
HCRTR2 O43614 11/20 0.50
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 1/20 0.46

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
SCHEMBL4242308 1.00 CSNK1D (0.51) CSNK1DHCRTR1HCRTR2KMT2ADYRK1A
SCHEMBL3782956 0.93 NCS1 (0.54) CSNK1DHCRTR1HCRTR2KMT2ADYRK1A
SCHEMBL3782963 0.93 NCS1 (0.54) CSNK1DHCRTR1HCRTR2KMT2ADYRK1A
SCHEMBL3658083 0.90 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3658078 0.90 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3656983 0.87 HCRTR1 (0.63) CSNK1DHCRTR1HCRTR2
SCHEMBL4243029 0.87 HCRTR1 (0.63) CSNK1DHCRTR1HCRTR2
SCHEMBL4247661 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4247668 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL13769579 0.82 HCRTR1 (0.59) CSNK1DHCRTR1HCRTR2

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 6 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-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 CSNK1D 903/4885HCRTR1 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.