SCHEMBL921899

SCHEMBL921899

COc1ccc2c(c1)N(CCN1CCC(NC(=O)O)CC1)C(=O)OC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.59
CHRM1 P11229 3/20 0.53
UBE2I P63279 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
MCHR1 Q99705 2/20 0.41

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
SCHEMBL921008 0.84 CHRM1 (0.71) KCNH2CHRM1
SCHEMBL708467 0.84 KCNH2 (0.57) KCNH2CHRM1UBE2IHKDC1SAE1
SCHEMBL921108 0.83 KCNH2 (0.63) KCNH2CHRM1MCHR1
Trifluoroacetic Acid SCHEMBL705051 0.82 KCNH2 (0.51) KCNH2CHRM1UBE2IHKDC1SAE1
SCHEMBL705556 0.81 KCNH2 (0.52) KCNH2CHRM1UBE2IHKDC1SAE1
SCHEMBL5134048 0.80 KCNH2 (0.55) KCNH2CHRM1UBE2IHKDC1SAE1
SCHEMBL920066 0.77 KCNH2 (0.60) KCNH2CHRM1UBE2IHKDC1SAE1
SCHEMBL706058 0.74 KCNH2 (1.00) KCNH2
Trifluoroacetic Acid SCHEMBL704661 0.73 KCNH2 (0.43) KCNH2CHRM1SIGMAR1
SCHEMBL922760 0.72 KCNH2 (0.58) KCNH2MCHR1

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 3 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-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 (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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885UBE2I 1739/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885UBE2I 1739/4885

“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.