SCHEMBL804115

SCHEMBL804115

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCC1CCCNC1)c1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
KMT2A Q03164 1/20 0.39
ACP1 P24666 13/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KHK P50053 1/20 0.37
SCN9A Q15858 1/20 0.36
CCKBR P32239 1/20 0.34

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
SCHEMBL12510216 0.92 PRKCA (0.45) PRKCAMMP12KMT2AACP1CHRNB2
SCHEMBL803912 0.90 PRKCA (0.41) PRKCAMMP12KMT2AACP1KHK
SCHEMBL12427897 0.90 PRKCA (0.40) PRKCAMMP12KMT2AACP1SCN9A
SCHEMBL12427858 0.87 PRKCA (0.49) PRKCAMMP12CHRNB2CHRNB4CHRNA3
SCHEMBL12427776 0.86 PRKCA (0.46) PRKCAMMP12KMT2AKHKSCN9A
SCHEMBL13285772 0.86 PRKCA (0.46) PRKCAMMP12SCN9ACCKBR
SCHEMBL804185 0.85 PRKCA (0.45) PRKCAMMP12SCN9ACCKBR
SCHEMBL12427753 0.85 PRKCA (0.45) PRKCAMMP12SCN9ACCKBR
SCHEMBL803973 0.85 PRKCA (0.48) PRKCAMMP12SCN9ACCKBR
SCHEMBL12427646 0.85 PRKCA (0.46) PRKCAMMP12SCN9ACCKBR

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885KMT2A 1865/4885

“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.