SCHEMBL425365

SCHEMBL425365

[CH2]CN(C)CCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.47
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL791946 0.86 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL17539606 0.84 SIGMAR1 (0.60) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL17528480 0.81 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL17526218 0.81 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL792225 0.80 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL791957 0.80 SIGMAR1 (0.49) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL428435 0.79 ALDH1A1 (0.41) SIGMAR1CYP1A2HRH3
SCHEMBL14067191 0.78 SIGMAR1 (0.47) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL791611 0.78 SIGMAR1 (0.51) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL7003575 0.77 SIGMAR1 (0.50) SIGMAR1SLC6A4SLC6A3SLC6A2TP53

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI SIGMAR1 3540/4885SLC6A4 4098/4885SLC6A3 3384/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SIGMAR1 3540/4885SLC6A4 4098/4885SLC6A3 3384/4885

“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.