SCHEMBL772107

SCHEMBL772107

[CH2]CN1CCCC(CC)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
ACHE P22303 1/20 0.31
CYP2D6 P10635 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
SCHEMBL772031 1.00 BCHE (0.39) BCHECHRM5ADRA2CCARM1PRMT6
SCHEMBL771773 1.00 BCHE (0.39) BCHECHRM5ADRA2CCARM1PRMT6
SCHEMBL771334 0.87
SCHEMBL771338 0.84 LSS (0.33) CHRM5ADRA2CCARM1PRMT6DRD2
SCHEMBL772392 0.84 BCHE (0.43) BCHECARM1PRMT6DRD2DRD1
SCHEMBL12718204 0.83 BCHE (0.40) BCHECHRM5ADRA2CCARM1PRMT6
SCHEMBL9926453 0.83 BCHE (0.40) BCHECHRM5ADRA2CCARM1PRMT6
SCHEMBL12718219 0.83 BCHE (0.40) BCHECHRM5ADRA2CCARM1PRMT6
SCHEMBL2444587 0.81 NCF1 (0.37) CHRM5ADRA2CCARM1PRMT6CYP2D6
SCHEMBL771961 0.80 NPSR1 (0.40) BCHECHRM5ADRA2CCARM1PRMT6

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 BCHE 2576/4885CHRM5 4875/4885ADRA2C 4348/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885CHRM5 4875/4885ADRA2C 4348/4885

“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.