SCHEMBL792794

SCHEMBL792794

CCc1ccc2c(C3CCCCC3)c3n(c2n1)CCNc1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
MAT2A P31153 3/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 1/20 0.31
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL804469 0.89
SCHEMBL772631 0.83 PARP1 (0.38) PARP1ALDH1A1
SCHEMBL792561 0.82 CCNB2 (0.35) GAAALOX15MAT2AALDH1A1PDE5A
SCHEMBL10283235 0.72 PDE5A (0.34) MAT2APDE5APDE1APDE1BPDE1C
SCHEMBL792770 0.71 MAOB (0.44) ALDH1A1HPGD
SCHEMBL792412 0.71 ESRRB (0.37)
SCHEMBL803831 0.71 SCN9A (0.34)
SCHEMBL804196 0.69 PRKCA (0.51) KDM4E
SCHEMBL771061 0.67 CCNB2 (0.38) ALDH1A1HPGDPDE5APDE1APDE1B
SCHEMBL3577991 0.66 SCN9A (0.47) ALDH1A1

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 BCHE 2576/4885GAA 374/4885ALOX15 3471/4885

“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.