SCHEMBL804185

SCHEMBL804185

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCC1CCN(C2CCCC2)CC1)c1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
SCN9A Q15858 1/20 0.37
OGFRL1 Q5TC84 3/20 0.37
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 1/20 0.36
NR1I2 O75469 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CCKBR P32239 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL10283220 0.91 OPRM1 (0.40) PRKCAMMP12SCN9AOGFRL1NR1I2
SCHEMBL12427649 0.90 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL803973 0.89 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427646 0.89 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL10283564 0.89 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427750 0.89 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427690 0.89 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427753 0.88 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12427858 0.87 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL792846 0.86 PRKCA (0.33) PRKCAMMP12OGFRL1OPRM1OPRD1

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 5 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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885
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.