SCHEMBL804592

SCHEMBL804592

O=C(O)CN1CCC(NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
SCN9A Q15858 3/20 0.41
NR1I2 O75469 2/20 0.41
CYP3A4 P08684 13/20 0.39
CYP2C19 P33261 12/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 1/20 0.39
HTR4 Q13639 1/20 0.36

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
Hydrochloric Acid SCHEMBL772361 0.99 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL772808 0.92 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL772843 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL773986 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL774051 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12429032 0.91 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
Hydrochloric Acid SCHEMBL773029 0.91 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL771797 0.90 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL771119 0.89 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL773010 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4

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 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.