SCHEMBL792850

SCHEMBL792850

O=COc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCC1CCN(C2CCCC2)CC1)c1ccccc1-3

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
PRKCA P17252 1/20 0.30
MMP12 P39900 1/20 0.30
HRH3 Q9Y5N1 2/20 0.30
ADRA1A P35348 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14572886 0.88 PRKCA (0.34) PRKCAMMP12HRH3
SCHEMBL792846 0.85 PRKCA (0.33) OPRM1OPRD1OPRK1OGFRL1PRKCA
SCHEMBL804185 0.84 PRKCA (0.45) OPRM1OPRD1OPRK1OGFRL1PRKCA
SCHEMBL10283220 0.83 OPRM1 (0.40) OPRM1OPRD1OPRK1OGFRL1PRKCA
SCHEMBL792434 0.82 PRKCA (0.31) PRKCAMMP12
SCHEMBL804601 0.82 ABCB1 (0.31) OPRM1OPRK1PRKCAMMP12KCNH2
SCHEMBL792637 0.77 PRKCA (0.33) PRKCAMMP12
SCHEMBL14572885 0.77 PRKCA (0.34) PRKCAMMP12KCNH2
SCHEMBL792449 0.75 ACHE (0.35) HRH3ADRA1AKCNH2
SCHEMBL792811 0.75 MTNR1A (0.40) PRKCAMMP12

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 OPRM1 3434/4885OPRD1 3789/4885OPRK1 3897/4885

“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.