SCHEMBL4246398

SCHEMBL4246398

COc1ccc2nc(NC3CCN(C(=O)c4c(OC)cccc4OC)C3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.51
HCRTR2 O43614 4/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
GFER P55789 2/20 0.44
SSTR5 P35346 1/20 0.44
GAA P10253 1/20 0.44
KDM5A P29375 1/20 0.43
CCNK O75909 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
MC4R P32245 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4246392 1.00 HCRTR1 (0.51) HCRTR1HCRTR2NPC1RAB9AHSP90AA1
SCHEMBL3655750 0.91 HCRTR1 (0.62) HCRTR1HCRTR2GFERSSTR5GAA
SCHEMBL4251417 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ASSTR5GAA
SCHEMBL4243995 0.91 HCRTR1 (0.62) HCRTR1HCRTR2GFERSSTR5GAA
SCHEMBL4251409 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ASSTR5GAA
SCHEMBL3660605 0.90 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5
SCHEMBL3656379 0.90 HCRTR1 (0.50) HCRTR1HCRTR2SSTR5
SCHEMBL4243332 0.89 HCRTR1 (0.60) HCRTR1HCRTR2SSTR5
SCHEMBL4244746 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ASSTR5GAA
SCHEMBL4244755 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ASSTR5GAA

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 2 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-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 2/4885NPC1 1330/4885

“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.