SCHEMBL792804

SCHEMBL792804

O=COc1ccc2c(C3CCCCC3)c3n(c2c1)CCCN(CCN1CCCCC1)c1cc(Cl)ccc1-3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.33
SCN9A Q15858 1/20 0.33
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HRH3 Q9Y5N1 5/20 0.31
MAOB P27338 3/20 0.31
AHCY P23526 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
TMEM97 Q5BJF2 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
SCHEMBL792435 0.85 LMNA (0.35) KCNH2SCN9AHTR7
SCHEMBL804901 0.83 PRKCA (0.43) KCNH2SCN9AHTR2AHTR7HRH3
SCHEMBL14572861 0.82 USP14 (0.42) KCNH2SCN9A
SCHEMBL12510266 0.81 SCN9A (0.32) KCNH2SCN9AHRH3
SCHEMBL792449 0.81 ACHE (0.35) KCNH2SCN9AHTR2AHRH3MAOB
SCHEMBL792664 0.80 CNR2 (0.34) SCN9A
SCHEMBL792442 0.80 OPRM1 (0.34) KCNH2DRD2DRD3
SCHEMBL804085 0.79 PRKCA (0.43) KCNH2SCN9AHTR2AHTR7HRH3
SCHEMBL12427889 0.79 PRKCA (0.43) KCNH2SCN9AHTR2AHTR7HRH3
SCHEMBL12427893 0.79 PRKCA (0.43) KCNH2SCN9AHTR2AHTR7HRH3

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 2 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

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 KCNH2 3813/4885SCN9A 3087/4885HTR2A 4863/4885

“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.