SCHEMBL773877

SCHEMBL773877

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2ccccc2)cccc1-3

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.52
MMP12 P39900 1/20 0.52
NR1I2 O75469 1/20 0.41
SCN9A Q15858 6/20 0.41
UCHL1 P09936 1/20 0.38
KMO O15229 1/20 0.37
USP30 Q70CQ3 1/20 0.36
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12429034 0.93 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AUCHL1
SCHEMBL774666 0.92 PRKCA (0.48) PRKCAMMP12NR1I2SCN9AUCHL1
Hydrochloric Acid SCHEMBL774479 0.92 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AUCHL1
SCHEMBL804237 0.91 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AUCHL1
Hydrochloric Acid SCHEMBL771873 0.90 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL771845 0.90 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL774624 0.89 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL10283292 0.88 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL772016 0.88 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL12429050 0.88 PRKCA (0.52) 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.