SCHEMBL705700

SCHEMBL705700

COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCCN1C(=O)COc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.42
GPR119 Q8TDV5 6/20 0.40
KCNH2 Q12809 1/20 0.39
CETP P11597 1/20 0.38
RORC P51449 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL921920 0.90 KCNH2 (0.41) KCNH2MEN1KMT2A
SCHEMBL707026 0.87 KCNH2 (0.39) KCNH2RORCMEN1KMT2AKDM4E
SCHEMBL706093 0.81 KCNH2 (0.42) KCNH2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL707025 0.79 KCNH2 (0.39) KCNH2MEN1KMT2AALDH1A1
SCHEMBL707477 0.77 CHRM1 (0.39) KCNH2MEN1KMT2AALDH1A1
SCHEMBL707478 0.77 CHRM1 (0.39) KCNH2MEN1KMT2AALDH1A1
SCHEMBL706101 0.74 KCNH2 (0.40) UTS2RKCNH2RORCL3MBTL1MEN1
SCHEMBL706370 0.74 KCNH2 (0.40) UTS2RKCNH2RORCL3MBTL1MEN1
SCHEMBL708388 0.74 KCNH2 (0.40) UTS2RKCNH2RORCL3MBTL1MEN1
SCHEMBL707924 0.71 KCNH2 (0.39) UTS2RGPR119KCNH2RORCL3MBTL1

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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (3 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 UTS2R 2561/4885GPR119 4294/4885KCNH2 4242/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK UTS2R 2561/4885GPR119 4294/4885KCNH2 4242/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK UTS2R 2561/4885GPR119 4294/4885KCNH2 4242/4885

“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.