SCHEMBL771504

SCHEMBL771504

CCCN(CCN1CCCCC1)c1cccc2c1OCCn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 2/20 0.37
SCN9A Q15858 4/20 0.36
PARP1 P09874 1/20 0.33
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
CCR3 P51677 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
DRD3 P35462 3/20 0.31
DRD2 P14416 2/20 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
SCHEMBL803733 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACCR3
Hydrochloric Acid SCHEMBL772835 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AOPRM1
SCHEMBL770533 0.91 PRKCA (0.41) PRKCAMMP12NR1I2SCN9A
SCHEMBL771459 0.89 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AHRH3
Hydrochloric Acid SCHEMBL773592 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL793050 0.88 PRKCA (0.37) PRKCAMMP12NR1I2SCN9AHRH3
Hydrochloric Acid SCHEMBL771881 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL12429508 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACCR3
SCHEMBL803866 0.88 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACCR3
SCHEMBL772157 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A

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 8 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
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 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.