SCHEMBL709070

SCHEMBL709070

C=CCC1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL24215540 0.89 PDE4B (0.46) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL21902891 0.89 PDE4B (0.46) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL17850683 0.89 PDE4B (0.46) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL5224218 0.88 HPGD (0.40) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL5133200 0.83 SLC6A2 (0.34) ALDH1A1
SCHEMBL708718 0.81 PDE4B (0.42) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL14964702 0.80 PDE4B (0.49) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL14031173 0.80 HPGD (0.42) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8221976 0.79 PDE4B (0.48) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL1445046 0.79 PDE4B (0.48) PDE4BEPHX1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-6841562-B2 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor AVENTIS PHARMA S.A. (FR) 2005-01-11 US disclosed
US-20040082610-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor NOVEXEL (FR) 2004-04-29 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 (4 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885ALDH1A1 2130/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885ALDH1A1 2130/4885
US-20040082610-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor RRS1, MRPL21, FARSB PDE4B 2052/4885EPHX1 2871/4885ALDH1A1 1452/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885ALDH1A1 2130/4885

“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.