SCHEMBL2075347

SCHEMBL2075347

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.49
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
NPC1 O15118 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
XIAP P98170 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CMA1 P23946 3/20 0.43

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
SCHEMBL2075346 1.00 VHL (0.49) VHLMC4RMC5RNPC1OPRM1
SCHEMBL5689963 0.89 CMA1 (0.54) NPC1LMNANPSR1KMT2AMEN1
SCHEMBL749563 0.88 USP30 (0.51) VHLNPC1OPRM1OPRD1OPRK1
SCHEMBL2074631 0.87 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2074630 0.87 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL7858495 0.85 VHL (0.51) VHLKMT2AMEN1
SCHEMBL2071996 0.85 VHL (0.54) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2076012 0.85 VHL (0.46) VHLMC4RMC5RNPC1OPRM1
SCHEMBL2076014 0.85 VHL (0.46) VHLMC4RMC5RNPC1OPRM1
SCHEMBL3692622 0.84 VHL (0.47) VHLOPRM1OPRD1OPRK1XIAP

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
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
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-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
WO-2010142985-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US 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.