SCHEMBL771772

SCHEMBL771772

[CH2]CN1CCOC(CC)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD3 P35462 6/20 0.34
PDK1 Q15118 1/20 0.32
DRD2 P14416 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
SCHEMBL13887674 0.83 HRH3 (0.46) DRD4HRH3DRD3PDK1DRD2
SCHEMBL9801701 0.83 HRH3 (0.46) DRD4HRH3DRD3PDK1DRD2
SCHEMBL1037760 0.82 DRD4 (0.36) DRD4DRD3PDK1DRD2
Bromide SCHEMBL19439574 0.82 HRH3 (0.44) DRD4HRH3DRD3PDK1DRD2
SCHEMBL25565642 0.80 DRD3 (0.51) DRD4DRD3DRD2
SCHEMBL25565643 0.80 DRD3 (0.51) DRD4DRD3DRD2
SCHEMBL9801156 0.80 DRD3 (0.51) DRD4DRD3DRD2
SCHEMBL26510904 0.80 DRD4 (0.35) DRD4HRH3DRD3PDK1DRD2
SCHEMBL5363661 0.79 PDK1 (0.51) DRD4HRH3PDK1DRD2
SCHEMBL24951149 0.77 DRD3 (0.39) DRD4HRH3DRD3

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 DRD4 3838/4885HRH3 4130/4885DRD3 4250/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD4 3838/4885HRH3 4130/4885DRD3 4250/4885

“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.