SCHEMBL707290

SCHEMBL707290

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2I P63279 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
KCNH2 Q12809 6/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM1A O60341 1/20 0.36
EPHX2 P34913 1/20 0.35
CHRM1 P11229 3/20 0.35
CACNA1S Q13698 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A4 P31645 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL706979 0.88 CACNA1S (0.35) UBE2IHKDC1SAE1UBA2KCNH2
SCHEMBL708561 0.85 KCNH2 (0.37) KCNH2DRD2DRD3KDM1ACHRM1
SCHEMBL707110 0.83 CHRM1 (0.38) UBE2IHKDC1SAE1UBA2KCNH2
Trifluoroacetic Acid SCHEMBL707289 0.79 KCNH2 (0.54) KCNH2CHRM1
SCHEMBL704556 0.74 KCNH2 (0.61) KCNH2DRD2CHRM1
Trifluoroacetic Acid SCHEMBL705051 0.73 KCNH2 (0.51) UBE2IHKDC1SAE1UBA2KCNH2
SCHEMBL708467 0.68 KCNH2 (0.57) UBE2IHKDC1SAE1UBA2KCNH2
SCHEMBL708910 0.68 KCNH2 (0.61) KCNH2DRD2DRD3CHRM1
SCHEMBL706830 0.68 CHRM1 (0.57) KCNH2DRD2DRD3CHRM1
Trifluoroacetic Acid SCHEMBL706978 0.68 KCNH2 (0.45) KCNH2CHRM1

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 6 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

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 UBE2I 1739/4885HKDC1 2256/4885SAE1 3453/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK UBE2I 1739/4885HKDC1 2256/4885SAE1 3453/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK UBE2I 1739/4885HKDC1 2256/4885SAE1 3453/4885

“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.