SCHEMBL772082

SCHEMBL772082

[CH2]CN(C)C(=O)C1CCN(C(=O)OC)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
USP30 Q70CQ3 2/20 0.36
BCHE P06276 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
POLB P06746 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL771883 0.91 GAA (0.41) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL771222 0.83 BCHE (0.36) SMN1; SMN2BCHEMAPTHSD17B10GAA
SCHEMBL771282 0.79 PGR (0.38) USP30CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL770930 0.77 BCHE (0.42) BCHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL772196 0.76 CCR5 (0.38) SMN1; SMN2MAPTGAAPOLBMEN1
SCHEMBL771513 0.76 BCHE (0.40) USP30BCHEALDH1A1ITGB3ITGA2B
SCHEMBL772209 0.75 GPR119 (0.39) SMN1; SMN2GAACHRNB2CHRNB4CHRNA3
SCHEMBL30868652 0.74 LMNA (0.47) SMN1; SMN2HSD17B10ALDH1A1GAAPOLB
SCHEMBL9675197 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GAAPOLBCHRNB2
SCHEMBL14009871 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAPOLBCHRNB2

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 SMN1; SMN2 4306/4885USP30 3235/4885BCHE 2576/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 SMN1; SMN2 4399/4885USP30 3968/4885BCHE 3415/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885USP30 3235/4885BCHE 2576/4885

“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.