SCHEMBL4246408

SCHEMBL4246408

COc1cccc(OC)c1C(=O)N1CC[C@@H](Nc2nc3cc(F)cc(F)c3s2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.48
HCRTR2 O43614 7/20 0.46
KDM5A P29375 2/20 0.46
GFER P55789 1/20 0.41
GAA P10253 1/20 0.41
APLNR P35414 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
PDE2A O00408 1/20 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
SCHEMBL4246412 1.00 HCRTR1 (0.48) HCRTR1HCRTR2KDM5AGFERGAA
SCHEMBL4245004 0.90 KDM5A (0.47) HCRTR1HCRTR2KDM5APIK3CDPIK3CA
SCHEMBL3659487 0.90 KDM5A (0.47) HCRTR1HCRTR2KDM5APIK3CDPIK3CA
SCHEMBL3658083 0.86 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3658078 0.86 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL8226209 0.86 HCRTR1 (0.45) HCRTR1HCRTR2KDM5AEGFRITK
SCHEMBL8227505 0.86 GFER (0.48) HCRTR1HCRTR2GFERGAAPIK3CD
SCHEMBL4247668 0.82 HCRTR1 (0.47) HCRTR1HCRTR2KDM5A
SCHEMBL4247661 0.82 HCRTR1 (0.47) HCRTR1HCRTR2KDM5A
SCHEMBL4249175 0.82 NPC1 (0.47) HCRTR1HCRTR2KDM5AGAAAPLNR

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 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
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

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 2/4885KDM5A 2654/4885

“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.