SCHEMBL2073365

SCHEMBL2073365

COC(=O)C1(N(C(=O)C2CCCCN2C(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 4/20 0.43
USP30 Q70CQ3 8/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
HSD11B1 P28845 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2072728 0.87 OPRM1 (0.36) ALDH1A1
SCHEMBL2072505 0.83 USP30 (0.46) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3835668 0.78 USP30 (0.55) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3830118 0.77 UCHL1 (0.49) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3833756 0.77 UCHL1 (0.49) UCHL1USP30NPC1LMNANPSR1
SCHEMBL12098650 0.77 UCHL1 (0.52) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3448503 0.77 UCHL1 (0.43) UCHL1USP30NPC1LMNANPSR1
SCHEMBL3835396 0.75 NPC1 (0.48) UCHL1USP30NPC1LMNANPSR1
SCHEMBL2134992 0.74 NPC1 (0.54) UCHL1USP30NPC1LMNANPSR1
SCHEMBL2136506 0.74 NPC1 (0.54) UCHL1USP30NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R UCHL1 4197/4885USP30 3892/4885NPC1 628/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R UCHL1 4197/4885USP30 3892/4885NPC1 628/4885

“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.