SCHEMBL883236

SCHEMBL883236

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)cc3)cc2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
USP30 Q70CQ3 3/20 0.41
UCHL1 P09936 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CHEK2 O96017 1/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BTK Q06187 1/20 0.38

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
SCHEMBL13179251 0.96 USP30 (0.44) HTTUSP30UCHL1ALDH1A1NPC1
SCHEMBL883261 0.95 USP30 (0.43) HTTUSP30UCHL1ALDH1A1NPC1
SCHEMBL883274 0.95 USP30 (0.43) HTTUSP30UCHL1ALDH1A1NPC1
SCHEMBL12295698 0.93 USP30 (0.43) HTTUSP30UCHL1ALDH1A1CHEK2
SCHEMBL14924575 0.93 ALDH1A1 (0.43) HTTUSP30UCHL1ALDH1A1CHEK2
SCHEMBL12104032 0.93 ALDH1A1 (0.43) HTTUSP30UCHL1ALDH1A1CHEK2
SCHEMBL14924576 0.92 ALDH1A1 (0.41) HTTUSP30UCHL1ALDH1A1CHEK2
SCHEMBL16904938 0.92 ALDH1A1 (0.41) HTTUSP30UCHL1ALDH1A1CHEK2
SCHEMBL12682635 0.92 NPSR1 (0.44) HTTUSP30UCHL1ALDH1A1NPC1
SCHEMBL15993266 0.91 CYP3A4 (0.47)

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
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO 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 (2 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 HTT 4602/4885USP30 2018/4885UCHL1 2118/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HTT 4602/4885USP30 2018/4885UCHL1 2118/4885

“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.