SCHEMBL772546

SCHEMBL772546

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.51
CHRM1 P11229 5/20 0.51
CHRM5 P08912 4/20 0.51
CHRM4 P08173 2/20 0.51
BCHE P06276 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SCN1A P35498 6/20 0.42
SCN2A Q99250 6/20 0.42
SCN3A Q9NY46 6/20 0.42
MLNR O43193 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL772363 0.90 CHRM3 (0.54) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL771662 0.84 BCHE (0.46) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL771966 0.82 BCHE (0.42) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL772230 0.81 POLB (0.44) BCHEALDH1A1MAPTSMN1; SMN2
SCHEMBL771635 0.81 BCHE (0.47) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL772652 0.81 EPHX1 (0.44) BCHEMEN1KMT2AALDH1A1
SCHEMBL771699 0.78 BCHE (0.41) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL771972 0.78 BCHE (0.39) BCHE
SCHEMBL770930 0.76 BCHE (0.42) CHRM3CHRM1CHRM5CHRM4BCHE
SCHEMBL771776 0.76 L3MBTL1 (0.40) CHRM3CHRM1CHRM5CHRM4BCHE

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 7 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
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 CHRM3 4881/4885CHRM1 4876/4885CHRM5 4875/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CHRM3 4866/4885CHRM1 4851/4885CHRM5 4853/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRM3 4881/4885CHRM1 4876/4885CHRM5 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.