SCHEMBL12373624

SCHEMBL12373624

C[C@H]1C[C@@H](c2nc3ccc4cc(C#C[Si](C)(C)C)ccc4c3[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.37
GABRG2 P18507 6/20 0.37
GABRB3 P28472 6/20 0.37
GABRA1 P14867 6/20 0.37
GABRA3 P34903 5/20 0.37
GABRA2 P47869 5/20 0.37
GABRA6 Q16445 4/20 0.37
GABRA4 P48169 4/20 0.36
UCHL1 P09936 1/20 0.32
GABRB2 P47870 1/20 0.32
GRM5 P41594 2/20 0.31
PARP1 P09874 1/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL10201490 0.89 GABRA1 (0.36) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL10201148 0.89 GABRG2 (0.35) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL19488784 0.87 UCHL1 (0.41) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL10201762 0.85 USP30 (0.36) PARP1MAP4K4
SCHEMBL12295800 0.84 GABRA5 (0.38) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL12373606 0.84 GABRA5 (0.38) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL14849166 0.81 GABRG2 (0.38) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL16229709 0.79 GABRA1 (0.35) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL10201174 0.77 HCRTR1 (0.43)
SCHEMBL14790473 0.76 GABRA5 (0.35) GABRA5GABRG2GABRB3GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP 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

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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRA5 3847/4885GABRG2 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.