SCHEMBL772571

SCHEMBL772571

[CH2]CN(C)C(=O)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
CYP11B2 P19099 1/20 0.33
SLC6A9 P48067 1/20 0.32
RIPK1 Q13546 1/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL771983 0.89 HSD17B10 (0.39) PIK3CD
SCHEMBL5988184 0.82 BCHE (0.41) PIK3CDCYP11B2SLC6A9RIPK1MMP2
SCHEMBL771433 0.82 RIPK1 (0.41) RIPK1POLB
SCHEMBL772675 0.80 CES2 (0.41) RIPK1
SCHEMBL23432881 0.78 PIK3CD (0.33) PIK3CDCYP11B2SLC6A9RIPK1PKM
SCHEMBL22089895 0.77 PDE7A (0.36) PIK3CDSLC6A9SLC6A2SLC6A4
SCHEMBL772103 0.76 POLB (0.38) POLB
SCHEMBL771972 0.73 BCHE (0.39) PIK3CD
SCHEMBL772196 0.73 CCR5 (0.38) POLB
SCHEMBL3288155 0.72 ALDH1A1 (0.42) PIK3CDPOLBPKM

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 PIK3CD 1700/4885CYP11B2 2302/4885SLC6A9 1938/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 PIK3CD 1311/4885CYP11B2 1525/4885SLC6A9 2046/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PIK3CD 1700/4885CYP11B2 2302/4885SLC6A9 1938/4885

“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.