SCHEMBL4244746

SCHEMBL4244746

COc1cccc(OC)c1C(=O)N1CC[C@@H](Nc2nc3cc(C)ccc3o2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.51
HCRTR2 O43614 5/20 0.48
FAAH O00519 1/20 0.45
SSTR5 P35346 6/20 0.44
KDM5A P29375 1/20 0.43
HRH1 P35367 2/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SSTR1 P30872 1/20 0.41

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
SCHEMBL4244755 1.00 HCRTR1 (0.51) HCRTR1HCRTR2FAAHSSTR5KDM5A
SCHEMBL4251409 0.93 HCRTR1 (0.51) HCRTR1HCRTR2SSTR5KDM5AHRH1
SCHEMBL4251417 0.93 HCRTR1 (0.51) HCRTR1HCRTR2SSTR5KDM5AHRH1
SCHEMBL4243332 0.89 HCRTR1 (0.60) HCRTR1HCRTR2SSTR5HRH1
SCHEMBL4243995 0.85 HCRTR1 (0.62) HCRTR1HCRTR2SSTR5KDM5ASMN1; SMN2
SCHEMBL3655750 0.85 HCRTR1 (0.62) HCRTR1HCRTR2SSTR5KDM5ASMN1; SMN2
SCHEMBL4246392 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SSTR5KDM5AKCNH2
SCHEMBL4246398 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SSTR5KDM5AKCNH2
SCHEMBL3660605 0.85 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5
SCHEMBL3656379 0.85 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5

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 HCRTR1 1/4885HCRTR2 2/4885FAAH 190/4885

“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.