SCHEMBL883274

SCHEMBL883274

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)cc3)cc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.43
UCHL1 P09936 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GPR119 Q8TDV5 1/20 0.41
TSHR P16473 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39

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
SCHEMBL883261 1.00 USP30 (0.43) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL13179251 0.99 USP30 (0.44) USP30UCHL1ALDH1A1TSHRLMNA
SCHEMBL14924576 0.95 ALDH1A1 (0.41) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL16904938 0.95 ALDH1A1 (0.41) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL12333035 0.95 USP30 (0.40) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL14841147 0.95 KMT2A (0.45) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL12333142 0.95 KMT2A (0.45) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL12682635 0.95 NPSR1 (0.44) USP30UCHL1ALDH1A1GPR119TSHR
SCHEMBL883236 0.95 HTT (0.42) USP30UCHL1ALDH1A1TSHRLMNA
SCHEMBL10117512 0.94 USP30 (0.40) USP30UCHL1ALDH1A1GPR119TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-8377980-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-19 US disclosed
US-8377980-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-19 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 US disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 US disclosed
WO-2011146401-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-11-24 WO disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS USP30 2018/4885UCHL1 2118/4885ALDH1A1 2120/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885UCHL1 405/4885ALDH1A1 1144/4885
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, PYGL USP30 2512/4885UCHL1 2261/4885ALDH1A1 2696/4885

“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.