SCHEMBL771195

SCHEMBL771195

[CH2]CN(C)C(=O)OC1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.35
CTSL P07711 1/20 0.34
PDE4D Q08499 10/20 0.32
PDE4A P27815 5/20 0.32
PDE4B Q07343 5/20 0.32
PDE4C Q08493 5/20 0.32
MLNR O43193 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CTSD P07339 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
CNR1 P21554 1/20 0.31
TBXAS1 P24557 1/20 0.31
ADRA1A P35348 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
SCHEMBL771972 0.90 BCHE (0.39) BCHE
SCHEMBL12292654 0.81 CTSL (0.34) BCHECTSLPDE4DPDE4APDE4B
SCHEMBL771966 0.78 BCHE (0.42) BCHE
SCHEMBL12086353 0.77 BCHE (0.41) BCHECTSLPDE4DPDE4APDE4B
SCHEMBL772652 0.76 EPHX1 (0.44) BCHE
SCHEMBL13034675 0.75 MLNR (0.35) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL12988394 0.75 PDE4D (0.36) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL8196504 0.74 CTSL (0.34) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL12083944 0.73 PDE4D (0.35) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL1691304 0.73

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 2576/4885CTSL 1165/4885PDE4D 3989/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 BCHE 3415/4885CTSL 1753/4885PDE4D 2707/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885CTSL 1165/4885PDE4D 3989/4885

“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.