SCHEMBL870192

SCHEMBL870192

CC(C)(C)OC(=O)N1CCc2cc(-c3coc4ccnc(N)c34)ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 12/20 0.61
EIF2AK1 Q9BQI3 1/20 0.44
BRD4 O60885 1/20 0.42
KDR P35968 1/20 0.40
MPO P05164 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK1 Q13546 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
USP30 Q70CQ3 1/20 0.39
UCHL1 P09936 1/20 0.39

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
SCHEMBL27975489 0.87 EIF2AK3 (0.67) EIF2AK3EIF2AK1KDRCYP11B1CYP11B2
SCHEMBL868669 0.86 EIF2AK3 (0.68) EIF2AK3EIF2AK1KDRCYP11B1CYP11B2
SCHEMBL2373601 0.85 EIF2AK3 (0.61) EIF2AK3EIF2AK1KDRNPC1MAPT
SCHEMBL869060 0.83 EIF2AK3 (0.43) EIF2AK3EIF2AK1BRD4NPC1CYP1A2
SCHEMBL869335 0.82 EIF2AK3 (0.66) EIF2AK3EIF2AK1BRD4KDRNPC1
SCHEMBL869628 0.81 EIF2AK3 (0.44) EIF2AK3EIF2AK1KDRMPOCYP3A4
SCHEMBL869570 0.76 EIF2AK3 (0.85) EIF2AK3EIF2AK1NPC1MAPTRAB9A
SCHEMBL868562 0.76 EIF2AK3 (0.72) EIF2AK3EIF2AK1CYP1A2CYP3A4CYP2C9
SCHEMBL868264 0.76 EIF2AK3 (0.69) EIF2AK3EIF2AK1CYP1A2CYP3A4CYP2C9
SCHEMBL869562 0.76 EIF2AK3 (1.00) EIF2AK3EIF2AK1RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK1 20/4885BRD4 1064/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK1 20/4885BRD4 1064/4885

“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.