SCHEMBL4243995

SCHEMBL4243995

COc1cccc(OC)c1C(=O)N1CCC(Nc2nc3ccc(F)cc3o2)C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.62
HCRTR2 O43614 4/20 0.47
KDM5A P29375 2/20 0.44
SSTR5 P35346 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3655750 1.00 HCRTR1 (0.62) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2
SCHEMBL4246392 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2
SCHEMBL4251417 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2
SCHEMBL4251409 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2
SCHEMBL4246398 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2
SCHEMBL3656379 0.90 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5
SCHEMBL3660605 0.90 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5
SCHEMBL4243332 0.89 HCRTR1 (0.60) HCRTR1HCRTR2SSTR5
SCHEMBL8218680 0.87 HCRTR1 (0.51) HCRTR1HCRTR2SSTR5SMN1; SMN2GFER
SCHEMBL4244755 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KDM5ASSTR5SMN1; SMN2

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 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-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.