SCHEMBL791608

SCHEMBL791608

CN(CCOCc1ccccc1)CCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.65
LTA4H P09960 2/20 0.59
SLC6A3 Q01959 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
DRD2 P14416 1/20 0.48

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
SCHEMBL6393260 0.82 LTA4H (0.84) SIGMAR1LTA4HSLC6A3HRH3DRD2
SCHEMBL791606 0.81 SIGMAR1 (0.97) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL29447351 0.80 LTA4H (0.87) SIGMAR1LTA4HSLC6A3HRH3
SCHEMBL792219 0.79 SIGMAR1 (0.71) SIGMAR1SLC6A3HRH3
SCHEMBL7332913 0.79 SIGMAR1 (1.00) SIGMAR1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8694185 0.78 SIGMAR1 (0.69) SIGMAR1SLC6A3HRH3
SCHEMBL27540109 0.78 LTA4H (0.72) SIGMAR1LTA4HHRH3
SCHEMBL22440218 0.77 LTA4H (0.77) SIGMAR1LTA4HSLC6A3HRH3DRD2
SCHEMBL13306955 0.77 SIGMAR1 (0.73) SIGMAR1SLC6A3HRH3
SCHEMBL17528540 0.77 SIGMAR1 (0.49) SIGMAR1SLC6A3SLC6A2SLC6A4

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 7 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 3155/4885LTA4H 3551/4885SLC6A3 2991/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885LTA4H 3551/4885SLC6A3 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.