SCHEMBL792222

SCHEMBL792222

CN(CCN1CCCOCC1)CCN1CCCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.45
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP3A4 P08684 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
GLA P06280 1/20 0.41
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL791912 0.92 ALDH1A1 (0.46) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL791954 0.91 CHRM3 (0.38) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL13285961 0.89 SIGMAR1 (0.40) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL20080129 0.88 GLA (0.41) SIGMAR1GLAKEAP1SMN1; SMN2KDM4E
SCHEMBL24065992 0.84 CA12 (0.44) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL14300251 0.84 ALDH1A1 (0.41) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL2733378 0.82 KEAP1 (0.53) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL14997478 0.82 ALDH1A1 (0.53) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL18024043 0.82 CHRM3 (0.40) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL684590 0.82 ALDH1A1 (0.42) SIGMAR1CYP1A2GLAKEAP1SMN1; SMN2

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 3155/4885TP53 559/4885CYP1A2 1549/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885TP53 559/4885CYP1A2 1549/4885

“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.