SCHEMBL12373606

SCHEMBL12373606

C[C@H]1CC[C@@H](c2nc3ccc4cc(C#C[Si](C)(C)C)ccc4c3[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.38
GABRA1 P14867 8/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA3 P34903 6/20 0.38
GABRA2 P47869 6/20 0.38
GABRA6 Q16445 5/20 0.38
GABRA4 P48169 4/20 0.35
UCHL1 P09936 1/20 0.32
GABRB2 P47870 1/20 0.32
KAT2B Q92831 1/20 0.31
GRM5 P41594 2/20 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
SCHEMBL10202464 0.90 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12373673 0.90 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12373604 0.89 GABRG2 (0.35) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL13087697 0.89 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12295800 0.87 GABRA5 (0.38) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL19488784 0.86 UCHL1 (0.41) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL12373570 0.85 GABRA1 (0.42) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL13258504 0.84 HCRTR1 (0.39)
SCHEMBL19488783 0.84 USP30 (0.34) KAT2B
SCHEMBL10201761 0.84 USP30 (0.34) KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3847/4885GABRA1 3946/4885GABRG2 3280/4885

“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.