SCHEMBL804577

SCHEMBL804577

COCC[C@@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(F)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.40
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
HRH2 P25021 1/20 0.36
CCR3 P51677 5/20 0.35
SCN9A Q15858 2/20 0.34
KCNH2 Q12809 5/20 0.33
CYP3A4 P08684 1/20 0.33
SCN5A Q14524 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL12429167 0.94 PRKCA (0.41) NR1I2PRKCAMMP12HRH2CCR3
SCHEMBL12429239 0.92 PRKCA (0.40) NR1I2PRKCAMMP12HRH2CCR3
SCHEMBL12428079 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL10283283 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL803712 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL12428480 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL12428482 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL12428078 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL10283285 0.92 PRKCA (0.40) NR1I2PRKCAMMP12SCN9AKCNH2
SCHEMBL12428564 0.91 PRKCA (0.40) NR1I2PRKCAMMP12CCR3SCN9A

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 3 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

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 NR1I2 1189/4885PRKCA 2404/4885MMP12 1013/4885

“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.