SCHEMBL793072

SCHEMBL793072

Cc1ccc2c(C3CCCCC3)c(-c3ccccc3COS(C)(=O)=O)n(CCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
NQO2 P16083 1/20 0.35
DYRK1A Q13627 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL771603 0.91 CNR2 (0.37) CNR2NQO2DYRK1AOPRM1OPRD1
SCHEMBL793146 0.89 CNR2 (0.40) CNR2NQO2DYRK1AOPRM1OPRD1
SCHEMBL792727 0.85 DRD2 (0.44) CNR2DYRK1AOPRM1OPRD1OPRK1
SCHEMBL4046301 0.80 CNR2 (0.42) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL772324 0.80 CNR2 (0.42) CNR2DYRK1AOPRM1OPRD1OPRK1
SCHEMBL10283557 0.79 CNR2 (0.37) CNR2NQO2DYRK1AOPRM1OPRD1
SCHEMBL772007 0.75 CNR2 (0.40) CNR2DYRK1AOPRM1OPRD1OPRK1
SCHEMBL10283242 0.74 PIM1 (0.37) CNR2DYRK1AOPRM1OPRD1OPRK1
SCHEMBL773128 0.70 CNR2 (0.41) CNR2NQO2DYRK1AOPRM1OPRD1
SCHEMBL10283241 0.69 CNR2 (0.36) CNR2NQO2DYRK1AOPRM1OPRD1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CNR2 4449/4885NQO2 458/4885DYRK1A 4620/4885

“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.