SCHEMBL923075

SCHEMBL923075

N#Cc1cc(F)c2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
SCN7A Q01118 2/20 0.40
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL921522 0.87 CNR2 (0.42) KCNH2CNR2
SCHEMBL921997 0.85 MAPT (0.39) KCNH2DRD3CNR2
SCHEMBL923934 0.85 KCNH2 (0.51) KCNH2CNR2
SCHEMBL921237 0.84 KCNH2 (0.63) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL705950 0.84 SCN7A (0.43) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4300959 0.82 CHRM1 (0.44) CNR2
SCHEMBL707379 0.81 KCNH2 (0.41) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4302199 0.81 KCNH2 (0.47) KCNH2CACNA1FHTR1AADORA3DRD2
SCHEMBL4133825 0.81 KCNH2 (0.59) KCNH2
SCHEMBL921298 0.79 CNR2 (0.41) KCNH2DRD3CNR2

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 4242/4885SCN7A 4165/4885SCN5A 2187/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885SCN7A 4165/4885SCN5A 2187/4885

“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.