SCHEMBL771699

SCHEMBL771699

[CH2]CN(C)C(=O)OC1CCN(C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TACR1 P25103 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.31
PDE4B Q07343 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL771662 0.91 BCHE (0.46) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL770930 0.86 BCHE (0.42) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL771635 0.82 BCHE (0.47) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL772363 0.82 CHRM3 (0.54) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL772546 0.78 CHRM3 (0.51) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL771776 0.77 L3MBTL1 (0.40) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL14125430 0.76 CHRM2 (0.43) CHRM4CHRM5CHRM1CHRM3PDE4B
SCHEMBL14125417 0.76 CHRM2 (0.43) CHRM4CHRM5CHRM1CHRM3PDE4B
SCHEMBL771966 0.74 BCHE (0.42) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL771222 0.74 BCHE (0.36) BCHETACR1MAPT

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 8 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 BCHE 2576/4885CHRM4 4878/4885CHRM5 4875/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 BCHE 3415/4885CHRM4 4871/4885CHRM5 4853/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885CHRM4 4878/4885CHRM5 4875/4885

“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.