SCHEMBL771635

SCHEMBL771635

[CH2]CN(C)C(=O)OC1CCN(C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
BRD4 O60885 1/20 0.38
OPRK1 P41145 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
EPHX1 P07099 1/20 0.35
BACE1 P56817 1/20 0.34
TPSAB1 Q15661 5/20 0.34
TPSD1 Q9BZJ3 5/20 0.34
TPSG1 Q9NRR2 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 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
SCHEMBL770930 0.94 BCHE (0.42) BCHEBRD4OPRK1CHRM4CHRM5
SCHEMBL771662 0.85 BCHE (0.46) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL771699 0.82 BCHE (0.41) BCHEOPRK1CHRM4CHRM5CHRM1
SCHEMBL772546 0.81 CHRM3 (0.51) BCHEOPRK1CHRM4CHRM5CHRM1
SCHEMBL772363 0.79 CHRM3 (0.54) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL771883 0.79 GAA (0.41) BRD4CHRM1EPHX1
SCHEMBL771966 0.77 BCHE (0.42) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL772230 0.77 POLB (0.44) BCHEL3MBTL1ATM
SCHEMBL772652 0.76 EPHX1 (0.44) BCHEEPHX1L3MBTL1
SCHEMBL772209 0.75 GPR119 (0.39) BRD4EPHX1L3MBTL1THRBATM

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 2576/4885BRD4 446/4885OPRK1 3897/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 BCHE 3415/4885BRD4 357/4885OPRK1 2123/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885BRD4 446/4885OPRK1 3897/4885

“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.