SCHEMBL888987

SCHEMBL888987

CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ncc(-c2ccc(-c3cnc(NC[C@@H]4CCCN4C(=O)OC(C)(C)C)nc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
OPRD1 P41143 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
KDM1A O60341 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CHEK2 O96017 1/20 0.42
APP P05067 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 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
SCHEMBL1598122 0.88 HCRTR1 (0.49) OPRD1HCRTR1HCRTR2ALOX5APFEN1
SCHEMBL1598119 0.88 HCRTR1 (0.49) OPRD1HCRTR1HCRTR2ALOX5APFEN1
SCHEMBL12810103 0.88 FPR3 (0.49) PRMT5OPRD1HCRTR1HCRTR2FPR3
SCHEMBL1597402 0.87 NPC1 (0.48) PRMT5OPRD1FPR3FPR2KDM1A
SCHEMBL1597840 0.87 PRMT5 (0.44) PRMT5OPRD1HCRTR1FPR3FPR2
SCHEMBL1597836 0.87 PRMT5 (0.44) PRMT5OPRD1HCRTR1FPR3FPR2
SCHEMBL1597407 0.87 NPC1 (0.48) PRMT5OPRD1FPR3FPR2KDM1A
SCHEMBL889104 0.85 PRMT5 (0.46) PRMT5OPRD1HCRTR1HCRTR2FPR3
SCHEMBL7204445 0.85 PRMT5 (0.46) PRMT5OPRD1HCRTR1HCRTR2FPR3
SCHEMBL888977 0.83 PRMT5 (0.43) PRMT5OPRD1HCRTR1HCRTR2ALOX5AP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PRMT5 1634/4885OPRD1 3098/4885HCRTR1 3277/4885

“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.