SCHEMBL12373564

SCHEMBL12373564

CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2cc(C#C[Si](C)(C)C)cc(F)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRA4 P48169 3/20 0.33
GPR119 Q8TDV5 2/20 0.32
GABRB2 P47870 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
SCHEMBL19488774 1.00 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12373586 0.89 GPR119 (0.33) GPR119
SCHEMBL19488777 0.89 GPR119 (0.33) GPR119
SCHEMBL10201500 0.89 GPR119 (0.33) GPR119
SCHEMBL10201125 0.84 USP30 (0.34)
SCHEMBL12373506 0.84 USP30 (0.34)
SCHEMBL12373562 0.84 GABRA1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL19488770 0.84 GABRA1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12373559 0.83 UCHL1 (0.41) GABRG2GABRB3GABRA5GABRA4
SCHEMBL12295800 0.82 GABRA5 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3

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 GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885

“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.