SCHEMBL792773

SCHEMBL792773

[C-]#[N+]c1ccc2c(C3CCCCC3)cn(CC(=O)OC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN5A Q14524 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL804189 0.81 POLB (0.40) PTGDRPTGDR2CNR1CNR2MAPT
SCHEMBL5447286 0.75 POLB (0.36) CNR1CNR2MAPTRXFP1POLB
SCHEMBL792776 0.74 JAK2 (0.38) MAPTALDH1A1POLBCCNE1CDK2
SCHEMBL771788 0.73 NPC1 (0.39) CNR2MAPTRXFP1ALDH1A1POLB
SCHEMBL3788411 0.68 CAMKK2 (0.42) PTGDR2CCNE1CDK2
SCHEMBL792163 0.67 LMNA (0.33) MAPTRXFP1ALDH1A1POLB
SCHEMBL10283721 0.64 ALDH1A1 (0.43) CNR1CNR2MAPTRXFP1ALDH1A1
SCHEMBL2156694 0.62 PTGDR2 (0.38) PTGDRPTGDR2MAPTRXFP1ALDH1A1
SCHEMBL15708454 0.62 POLB (0.38) POLBGAA
SCHEMBL14606916 0.61 CNR1 (0.40) CNR1CNR2CCNE1CDK2

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
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 PTGDR 4421/4885PTGDR2 4522/4885CNR1 3860/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PTGDR 4421/4885PTGDR2 4522/4885CNR1 3860/4885

“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.