SCHEMBL4392235

SCHEMBL4392235

COc1ccc(C)cc1C(=O)N1CC[C@@H](Nc2nc3ccc(F)c(F)c3o2)C1.Fc1ccc2nc(N[C@@H]3CCNC3)oc2c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.41
THRB P10828 1/20 0.38
KDM1A O60341 2/20 0.37
PDE2A O00408 2/20 0.37
GAA P10253 2/20 0.36
MC4R P32245 2/20 0.35
RPS6KA2 Q15349 2/20 0.35
CCNK O75909 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
KCNH2 Q12809 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL8227626 0.93 GFER (0.45) GFERTHRBPDE2AGAARPS6KA2
SCHEMBL4385982 0.89 HCRTR1 (0.40) GFERCCNKCCNA2CDK2CDK7
SCHEMBL4249003 0.83 GFER (0.42) GFERTHRBCCNKCCNA2CDK2
SCHEMBL4249000 0.83 GFER (0.42) GFERTHRBCCNKCCNA2CDK2
SCHEMBL4388248 0.82 KDM5A (0.41) SSTR5
SCHEMBL4241934 0.81 HCRTR1 (0.44) GFERPDE2ACCNKCCNA2CDK2
SCHEMBL4241941 0.81 HCRTR1 (0.44) GFERPDE2ACCNKCCNA2CDK2
SCHEMBL4394061 0.81 MGLL (0.37)
SCHEMBL4389150 0.81 HCRTR1 (0.42) GFERTHRBCCNKCCNA2CDK2
SCHEMBL4387380 0.80 HCRTR1 (0.47)

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 GFER 607/4885THRB 246/4885KDM1A 1655/4885

“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.