Sugi Predict

Sugi Predict / Compounds / SCHEMBL883263

SCHEMBL883263

SCHEMBL883263

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)-c1ccc(Br)cc1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP30 Q70CQ3 4/20 0.40
▸ HCRTR1 O43613 3/20 0.38
▸ HCRTR2 O43614 3/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ PTGES O14684 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TYMS P04818 1/20 0.36

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
SCHEMBL203624 1.00 UCHL1 (0.40) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL14742974 0.95 UCHL1 (0.40) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL14742976 0.95 UCHL1 (0.40) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL14691195 0.88 KMT2A (0.41) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL14691196 0.88 KMT2A (0.41) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL28743816 0.88 UCHL1 (0.44) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL14742959 0.88 KMT2A (0.40) UCHL1KMT2AUSP30HCRTR1HCRTR2
SCHEMBL8749960 0.87 L3MBTL1 (0.39) UCHL1USP30HCRTR1HCRTR2PTGES
SCHEMBL14743583 0.86 GABRG2 (0.39) UCHL1USP30PTGESGABRG2GABRB3
SCHEMBL14743582 0.86 GABRG2 (0.39) UCHL1USP30PTGESGABRG2GABRB3

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 — — US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 — — 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 (7 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL UCHL1 353/4885KMT2A 4482/4885USP30 2386/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885KMT2A 4516/4885USP30 2534/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885KMT2A 4516/4885USP30 2534/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885KMT2A 3803/4885USP30 1320/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS UCHL1 2118/4885KMT2A 4287/4885USP30 2018/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885KMT2A 3803/4885USP30 1320/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885KMT2A 3803/4885USP30 1320/4885

“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.