SCHEMBL771282

SCHEMBL771282

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.38
CYP2D6 P10635 7/20 0.38
CYP2C9 P11712 7/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
USP30 Q70CQ3 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL772209 0.90 GPR119 (0.39) CYP2D6CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL772201 0.82 L3MBTL3 (0.37)
SCHEMBL772082 0.79 SMN1; SMN2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3USP30
SCHEMBL772198 0.78 PGR (0.39) PGRCYP2D6CYP2C9CHRNB2CHRNA4
SCHEMBL772199 0.76 ADH1C (0.39) PGRCYP2D6CYP2C9CHRNB2CHRNA4
SCHEMBL771883 0.75 GAA (0.41)
SCHEMBL770638 0.75 LTA4H (0.41)
SCHEMBL14388985 0.74 L3MBTL3 (0.53) CYP2C9CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL770930 0.74 BCHE (0.42) CHRNB2CHRNA4CHRNB4CHRNA3OPRK1
SCHEMBL23986339 0.73 CYP2D6 (0.46) CYP2D6CYP2C9

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 PGR 4028/4885CYP2D6 1478/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PGR 4028/4885CYP2D6 1478/4885CYP2C9 976/4885

“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.