SCHEMBL804162

SCHEMBL804162

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC(=O)N1CCSCC1)c1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
MAPT P10636 3/20 0.32
SCN9A Q15858 1/20 0.32
NR1I2 O75469 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL803994 0.88 PRKCA (0.38) PRKCAMMP12SCN9ANR1I2HDAC1
SCHEMBL792560 0.86 CHRM2 (0.39) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL14572857 0.86 PRKCA (0.39) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL804226 0.86 PRKCA (0.31) PRKCAMMP12
SCHEMBL804122 0.84 PRKCA (0.46) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL792637 0.83 PRKCA (0.33) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL10283182 0.79 GPR119 (0.37) KDM4E
SCHEMBL12427577 0.78 PRKCA (0.48) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL10283571 0.77 PRKCA (0.48) PRKCAMMP12MAPTSCN9ANR1I2
SCHEMBL10283570 0.77 PRKCA (0.48) PRKCAMMP12MAPTSCN9ANR1I2

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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 1013/4885MAPT 3389/4885

“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.