SCHEMBL791954

SCHEMBL791954

CCN(C)CCN1CCCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 13/20 0.38
GLA P06280 1/20 0.38
KEAP1 Q14145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CYP3A4 P08684 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL684590 0.93 ALDH1A1 (0.42) CHRM3SIGMAR1GLAKEAP1SMN1; SMN2
SCHEMBL792222 0.91 SIGMAR1 (0.45) SIGMAR1GLAKEAP1SMN1; SMN2KDM4E
SCHEMBL13285961 0.84 SIGMAR1 (0.40) CHRM3SIGMAR1GLAKEAP1SMN1; SMN2
SCHEMBL20080129 0.83 GLA (0.41) CHRM3SIGMAR1GLAKEAP1SMN1; SMN2
SCHEMBL7003575 0.82 SIGMAR1 (0.50) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL19493355 0.82 SIGMAR1 (0.46) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL791912 0.82 ALDH1A1 (0.46) CHRM3SIGMAR1GLAKEAP1SMN1; SMN2
SCHEMBL12250550 0.81 KEAP1 (0.48) SIGMAR1KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL791957 0.81 SIGMAR1 (0.49) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL792225 0.81 SIGMAR1 (0.49) SIGMAR1TP53CYP1A2CYP2D6TSHR

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
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP 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-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 CHRM3 4881/4885SIGMAR1 3155/4885GLA 2961/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRM3 4881/4885SIGMAR1 3155/4885GLA 2961/4885

“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.