SCHEMBL791606

SCHEMBL791606

CN(CCc1ccccc1)CCN1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.97
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
SLC6A2 P23975 1/20 0.69
GRIN2D O15399 1/20 0.63
GRIN3B O60391 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
GRIN1 Q05586 1/20 0.63
GRIN2A Q12879 1/20 0.63
GRIN2B Q13224 1/20 0.63
GRIN2C Q14957 1/20 0.63
GRIN3A Q8TCU5 1/20 0.63

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
SCHEMBL7332913 0.98 SIGMAR1 (1.00) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL792219 0.85 SIGMAR1 (0.71) SIGMAR1SLC6A3
SCHEMBL7217896 0.84 SIGMAR1 (0.97) SIGMAR1SLC6A4SLC6A3SLC6A2GRIN2D
SCHEMBL7218181 0.84 SIGMAR1 (0.97) SIGMAR1SLC6A4SLC6A3SLC6A2GRIN2D
Hydrochloric Acid SCHEMBL8694185 0.84 SIGMAR1 (0.69) SIGMAR1SLC6A3
SCHEMBL13306955 0.83 SIGMAR1 (0.73) SIGMAR1SLC6A3
SCHEMBL7536460 0.83 SIGMAR1 (1.00) SIGMAR1SLC6A4SLC6A3SLC6A2GRIN2D
SCHEMBL791608 0.81 SIGMAR1 (0.65) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL17715011 0.80 SIGMAR1 (0.64) SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL17346425 0.79 SIGMAR1 (0.67) SIGMAR1

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 6 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-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 SIGMAR1 3155/4885SLC6A4 4166/4885SLC6A3 2991/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885SLC6A4 4166/4885SLC6A3 2991/4885

“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.