SCHEMBL804601

SCHEMBL804601

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCC1CCN(C2CCCC2)CC1)c1ccccc1-3

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR1 P21554 1/20 0.30
PRKCA P17252 1/20 0.30
MMP12 P39900 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL792846 0.86 PRKCA (0.33) ABCB1CNR1PRKCAMMP12OPRM1
SCHEMBL10283182 0.86 GPR119 (0.37)
SCHEMBL10283220 0.84 OPRM1 (0.40) CYP3A4KCNH2PRKCAMMP12OPRM1
SCHEMBL804226 0.83 PRKCA (0.31) PRKCAMMP12
SCHEMBL14572886 0.82 PRKCA (0.34) PRKCAMMP12
SCHEMBL792850 0.82 OPRM1 (0.31) KCNH2PRKCAMMP12OPRM1OPRK1
SCHEMBL804185 0.82 PRKCA (0.45) CYP3A4PRKCAMMP12OPRM1OPRK1
SCHEMBL803994 0.81 PRKCA (0.38) CYP3A4PRKCAMMP12OPRK1
SCHEMBL804162 0.77 PRKCA (0.34) PRKCAMMP12
SCHEMBL10283188 0.77 PRKCA (0.34) 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 ABCB1 593/4885CYP3A4 1341/4885KCNH2 3813/4885

“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.