SCHEMBL12373653

SCHEMBL12373653

CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2ccc(C#Cc3ccc4c(ccc5nc([C@@H]6C[C@H]7C[C@H]7N6C(=O)OC(C)(C)C)[nH]c54)c3)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
HCRTR1 O43613 15/20 0.33
HCRTR2 O43614 15/20 0.33
CHEK2 O96017 3/20 0.32

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
SCHEMBL10202474 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16229709 0.96 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13258510 0.93 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10202456 0.91 BACE1 (0.34) HCRTR1HCRTR2
SCHEMBL15896297 0.91 BACE1 (0.34) HCRTR1HCRTR2
SCHEMBL10202463 0.91 GPR119 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12373670 0.91 GPR119 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12295800 0.91 GABRA5 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12373661 0.90 BACE1 (0.31) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13087697 0.90 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2

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
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRA1 3946/4885GABRG2 3280/4885GABRB3 2346/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRA1 3946/4885GABRG2 3280/4885GABRB3 2346/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRA1 3946/4885GABRG2 3280/4885GABRB3 2346/4885

“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.