SCHEMBL921174

SCHEMBL921174

COc1ccc2c(=O)n(C)c(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
KCNH2 Q12809 3/20 0.46
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CHRM1 P11229 2/20 0.42

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
SCHEMBL924021 0.86 CNR2 (0.47) CNR2CNR1KCNH2CHRM1
SCHEMBL11968772 0.85 KCNH2 (0.61) CNR2CNR1KCNH2MAOBPOLB
SCHEMBL5040389 0.81 KCNH2 (0.49) CNR2CNR1KCNH2MAOBPOLB
SCHEMBL707117 0.81 GRM2 (0.39) CNR2CNR1KCNH2
SCHEMBL9957833 0.81 KCNH2 (0.49) CNR2CNR1KCNH2MAOBPOLB
SCHEMBL922760 0.81 KCNH2 (0.58) KCNH2
SCHEMBL923322 0.80 KCNH2 (0.51) CNR2KCNH2
SCHEMBL924661 0.79 CNR2 (0.53) CNR2CNR1KCNH2MAOBPOLB
SCHEMBL11969309 0.79 KCNH2 (0.50) CNR2CNR1KCNH2POLBSIGMAR1
SCHEMBL920361 0.78 KCNH2 (0.62) KCNH2

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 4 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
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 (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 CNR2 4145/4885CNR1 3678/4885KCNH2 4242/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CNR2 4145/4885CNR1 3678/4885KCNH2 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.