SCHEMBL12373559

SCHEMBL12373559

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(C#C[Si](C)(C)C)cc(F)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA4 P48169 1/20 0.36
PTGES O14684 2/20 0.36
PRCP P42785 1/20 0.36
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 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
SCHEMBL10201495 0.88 PTGES (0.40) ALDH1A1TSHRLMNAPTGESPRCP
SCHEMBL12373556 0.84 UCHL1 (0.43) UCHL1GABRG2GABRB3GABRA5GABRA4
SCHEMBL19488774 0.83 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA4
SCHEMBL12373564 0.83 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA4
SCHEMBL10201124 0.83 HCRTR1 (0.41) UCHL1ALDH1A1TSHRLMNAPTGES
SCHEMBL10121466 0.83 PRCP (0.38) UCHL1TSHRLMNAPTGESPRCP
SCHEMBL203367 0.82 HCRTR1 (0.46) UCHL1GABRG2GABRB3GABRA5GABRA4
SCHEMBL2708720 0.82 HCRTR1 (0.46) UCHL1GABRG2GABRB3GABRA5GABRA4
SCHEMBL19488784 0.82 UCHL1 (0.41) UCHL1ALDH1A1GABRG2GABRB3GABRA5
SCHEMBL18782896 0.77 PRCP (0.34) TSHRLMNAPTGESPRCPHCRTR1

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 8 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-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 UCHL1 405/4885ALDH1A1 1144/4885TSHR 4635/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885ALDH1A1 1144/4885TSHR 4635/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885ALDH1A1 1144/4885TSHR 4635/4885

“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.