SCHEMBL706979

SCHEMBL706979

COc1ccc2c(c1)N(CCN1CCC(N)CC1=O)C(=O)C(OC(=O)C(F)(F)F)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 7/20 0.35
UBE2I P63279 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
KYAT1 Q16773 1/20 0.33
KYAT3 Q6YP21 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KCNH2 Q12809 3/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HDAC3 O15379 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
HDAC4 P56524 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL707290 0.88 UBE2I (0.41) CACNA1SUBE2IHKDC1SAE1UBA2
SCHEMBL705793 0.86 ELANE (0.31) KCNH2DRD2DRD3SIRT2SIRT1
Trifluoroacetic Acid SCHEMBL706978 0.81 KCNH2 (0.45) KCNH2TSHRCHRM1
SCHEMBL707110 0.77 CHRM1 (0.38) UBE2IHKDC1SAE1UBA2KCNH2
SCHEMBL707118 0.77 KCNH2 (0.50) KCNH2DRD2TSHRCHRM1
SCHEMBL708561 0.74 KCNH2 (0.37) KCNH2DRD2DRD3CHRM1
Trifluoroacetic Acid SCHEMBL707289 0.69 KCNH2 (0.54) KCNH2CHRM1
SCHEMBL923052 0.66 KCNH2 (0.53) KCNH2TSHRTHRBCHRM1
Trifluoroacetic Acid SCHEMBL705792 0.66 KCNH2 (0.43) KCNH2TSHR
SCHEMBL707698 0.65 KCNH2 (0.46) KCNH2TSHRTHRBCHRM1

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 CACNA1S 4727/4885UBE2I 1739/4885HKDC1 2256/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CACNA1S 4727/4885UBE2I 1739/4885HKDC1 2256/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CACNA1S 4727/4885UBE2I 1739/4885HKDC1 2256/4885

“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.