SCHEMBL803814

SCHEMBL803814

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.41
NR1I2 O75469 5/20 0.39
CCR3 P51677 6/20 0.38
ACHE P22303 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
HTR2A P28223 1/20 0.34
HTR7 P34969 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
SCHEMBL10283573 0.93 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12427687 0.93 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12427953 0.90 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL14606912 0.90 NR1I2 (0.40) PRKCAMMP12SCN9ANR1I2HTR7
SCHEMBL12427775 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KDM4C
SCHEMBL12427802 0.90 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2
SCHEMBL803839 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2
SCHEMBL803965 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2
SCHEMBL804124 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2
SCHEMBL803874 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2

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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 1013/4885SCN9A 3087/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.