SCHEMBL772654

SCHEMBL772654

[CH2]CN1CCCC(COCC)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPT P10636 1/20 0.32
MAOB P27338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDK1 Q15118 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30
CDK8 P49336 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL19407684 0.86 HTR2A (0.37) PRKDCBCHEACHECHRNB2CHRNB4
SCHEMBL771961 0.84 NPSR1 (0.40) BCHEACHECHRNB2CHRNB4CHRNA3
SCHEMBL772604 0.84 NPSR1 (0.40) BCHEACHECHRNB2CHRNB4CHRNA3
SCHEMBL771904 0.84 NPSR1 (0.40) BCHEACHECHRNB2CHRNB4CHRNA3
SCHEMBL772549 0.83 CHRNB2 (0.32) BCHEACHECHRNB2CHRNB4CHRNA3
SCHEMBL772038 0.83 KDM4E (0.35) MAOBKDM4EPOLB
SCHEMBL14392364 0.81 CHRM5 (0.50) ACHEKDM4EPOLBCHRM5ADRA2C
SCHEMBL14392363 0.81 CHRM5 (0.50) ACHEKDM4EPOLBCHRM5ADRA2C
SCHEMBL14392537 0.81 CHRM5 (0.50) ACHEKDM4EPOLBCHRM5ADRA2C
SCHEMBL772107 0.80 BCHE (0.39) BCHEACHECHRM5ADRA2CCARM1

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 PRKDC 971/4885BCHE 2576/4885ACHE 3981/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKDC 971/4885BCHE 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.