SCHEMBL16409154

SCHEMBL16409154

CC(C)(C)OC(=O)N[C@H](c1ncc(-c2ccc3cc(C#Cc4ccc5cc(-c6cnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]6)ccc5c4)ccc3c2)[nH]1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.41
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
HDAC1 Q13547 10/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15116775 0.96 SSTR3 (0.40) SSTR3GABRA1GABRG2GABRB3GABRA3
SCHEMBL20054462 0.96 SSTR3 (0.40) SSTR3GABRA1GABRG2GABRB3GABRA3
SCHEMBL15116773 0.95 SSTR3 (0.39) SSTR3GABRA1GABRG2GABRB3GABRA3
SCHEMBL20054356 0.95 SSTR3 (0.39) SSTR3GABRA1GABRG2GABRB3GABRA3
SCHEMBL15116767 0.94 GABRA1 (0.42) SSTR3GABRA1GABRG2GABRB3GABRA3
SCHEMBL20054377 0.91 SSTR3 (0.44) SSTR3GABRB1GABRB2AAK1HDAC1
SCHEMBL15116811 0.91 SSTR3 (0.44) SSTR3GABRB1GABRB2AAK1HDAC1
SCHEMBL12117653 0.90 SSTR3 (0.46) SSTR3GABRB1GABRB2AAK1HDAC1
SCHEMBL19414754 0.90 SSTR3 (0.46) SSTR3GABRB1GABRB2AAK1HDAC1
SCHEMBL15116447 0.90 SSTR3 (0.47) SSTR3GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (1 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SSTR3 4760/4885GABRA1 3761/4885GABRG2 3454/4885

“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.