SCHEMBL772161

SCHEMBL772161

[CH2]CN1CCC[C@@H](CC(=O)N(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 1/20 0.35
KDM2B Q8NHM5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
LTA4H P09960 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 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
SCHEMBL771838 0.85 DPP4 (0.40) DPP4BCHEACHEKDM2BALDH1A1
SCHEMBL2204349 0.80 LTA4H (0.43) DPP4BCHEACHELTA4HCYP2D6
SCHEMBL2202553 0.78 ACHE (0.46) DPP4BCHEACHEALDH1A1KMT2A
SCHEMBL772173 0.78 ACHE (0.46) DPP4BCHEACHEALDH1A1KMT2A
SCHEMBL771872 0.77 ACHE (0.35) BCHEACHEKDM2BALDH1A1KMT2A
SCHEMBL771548 0.74 BCHE (0.62) BCHEKDM2BALDH1A1KMT2AMEN1
SCHEMBL16055768 0.73 KMT2A (0.42) DPP4ALDH1A1KMT2ALTA4HMEN1
SCHEMBL771718 0.72 SIGMAR1 (0.37) KMT2AMEN1
SCHEMBL772107 0.72 BCHE (0.39) BCHEACHECYP2D6
SCHEMBL772031 0.72 BCHE (0.39) BCHEACHECYP2D6

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 DPP4 266/4885BCHE 2576/4885ACHE 3981/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DPP4 266/4885BCHE 2576/4885ACHE 3981/4885

“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.