SCHEMBL2076012

SCHEMBL2076012

CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@@H](Cc1ccc(Br)nc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.46
USP30 Q70CQ3 1/20 0.45
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
REN P00797 1/20 0.40
XIAP P98170 1/20 0.40

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
SCHEMBL2076014 1.00 VHL (0.46) VHLUSP30MC4RMC5RNPC1
SCHEMBL2074696 0.86 VHL (0.51) VHLOPRM1OPRD1OPRK1REN
SCHEMBL749563 0.86 USP30 (0.51) VHLUSP30NPC1LMNANPSR1
SCHEMBL2074559 0.85 USP30 (0.42) USP30NPC1LMNANPSR1L3MBTL1
SCHEMBL2074561 0.85 USP30 (0.42) USP30NPC1LMNANPSR1L3MBTL1
SCHEMBL2075346 0.85 VHL (0.49) VHLMC4RMC5RNPC1LMNA
SCHEMBL2075347 0.85 VHL (0.49) VHLMC4RMC5RNPC1LMNA
SCHEMBL2075088 0.83 VHL (0.49) VHLUSP30MC4RMC5RKMT2A
SCHEMBL2075087 0.83 VHL (0.49) VHLUSP30MC4RMC5RKMT2A
SCHEMBL2074631 0.82 VHL (0.53) VHLKMT2AMEN1OPRM1OPRD1

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 3 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
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (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 4069/4885USP30 3892/4885MC4R 796/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885USP30 3892/4885MC4R 796/4885

“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.