SCHEMBL2075232

SCHEMBL2075232

CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.45
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 1/20 0.41
XIAP P98170 2/20 0.40
USP30 Q70CQ3 2/20 0.40
CMA1 P23946 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 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
SCHEMBL2075234 1.00 VHL (0.45) VHLMC4RMC5ROPRM1OPRD1
SCHEMBL2075581 0.88 VHL (0.50) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2075346 0.84 VHL (0.49) VHLMC4RMC5ROPRM1OPRD1
SCHEMBL2075347 0.84 VHL (0.49) VHLMC4RMC5ROPRM1OPRD1
SCHEMBL2296377 0.82 VHL (0.46) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL749563 0.82 USP30 (0.51) VHLOPRM1OPRD1OPRK1NPC1
SCHEMBL2074631 0.81 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2074630 0.81 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL3660929 0.81 CYP3A4 (0.45) VHLLMNA
SCHEMBL16932339 0.80 USP30 (0.43) USP30F2PRSS1

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 VHL 4069/4885MC4R 796/4885MC5R 506/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885MC4R 796/4885MC5R 506/4885

“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.