SCHEMBL803864

SCHEMBL803864

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(C(=O)OC(C)(C)C)Cc1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
MAPK1 P28482 1/20 0.36
NAMPT P43490 3/20 0.36
NR1H2 P55055 2/20 0.36
UCHL1 P09936 1/20 0.36
NR1I2 O75469 1/20 0.35
ESR2 Q92731 1/20 0.35
SCN9A Q15858 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
PRMT5 O14744 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL792821 0.86 MAPK1 (0.40) LIPGMAPK1NAMPTNR1H2UCHL1
SCHEMBL12429621 0.85 NR1H2 (0.43) LIPGMAPK1NAMPTNR1H2UCHL1
SCHEMBL10283188 0.83 PRKCA (0.34) MAPK1NR1I2SCN9APRKCAMMP12
SCHEMBL10283182 0.83 GPR119 (0.37)
SCHEMBL13886474 0.83 NR1H2 (0.34) NR1H2ESR2SCN9APRMT5
SCHEMBL804007 0.81 MTNR1A (0.39) SCN9APRKCAMMP12
SCHEMBL803961 0.81 MTNR1A (0.40) MAPK1SCN9APRKCAMMP12
SCHEMBL803994 0.77 PRKCA (0.38) NR1I2SCN9APRKCAMMP12
SCHEMBL12429625 0.76 NR1I2 (0.42) NR1I2SCN9APRKCAMMP12
SCHEMBL804162 0.74 PRKCA (0.34) NR1I2SCN9APRKCAMMP12CHRM2

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 4 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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 LIPG 3859/4885MAPK1 1154/4885NAMPT 1302/4885

“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.