SCHEMBL792727

SCHEMBL792727

COc1ccccc1-c1c(C2CCCCC2)c2ccc(C)cc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CNR2 P34972 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDPK1 O15530 1/20 0.38
CCNB2 O95067 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL793146 0.89 CNR2 (0.40) DRD2CNR2DYRK1APOLBOPRM1
SCHEMBL793072 0.85 CNR2 (0.36) DRD2CNR2DYRK1APOLBOPRM1
SCHEMBL772324 0.80 CNR2 (0.42) DRD2CNR2DYRK1AOPRM1OPRD1
SCHEMBL772007 0.80 CNR2 (0.40) DRD2CCNT1CDK9CNR2DYRK1A
SCHEMBL4046301 0.79 CNR2 (0.42) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL10283557 0.79 CNR2 (0.37) DRD2CCNT1CDK9CNR2DYRK1A
SCHEMBL10283242 0.78 PIM1 (0.37) DRD2CCNT1CDK9CNR2DYRK1A
SCHEMBL771603 0.77 CNR2 (0.37) DRD2CNR2DYRK1AOPRM1OPRD1
SCHEMBL773128 0.73 CNR2 (0.41) DRD2CCNT1CDK9CNR2DYRK1A
SCHEMBL3563946 0.72 PRKCA (0.35) CNR2OPRM1OPRD1OGFRL1

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 DRD2 4479/4885CCNT1 872/4885CDK9 227/4885

“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.