SCHEMBL706835

SCHEMBL706835

COc1ccc2c(c1)N(CC[C@H]1CC[C@H](N)CC1)C(=O)CO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.43
PIK3CG P48736 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CBX7 O95931 1/20 0.42
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMPD1 P17405 1/20 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
SCHEMBL706836 1.00 KCNH2 (0.48) KCNH2ALOX15L3MBTL1MAPTPIK3CG
SCHEMBL704556 0.85 KCNH2 (0.61) KCNH2ALOX15L3MBTL1MAPTPIK3CG
SCHEMBL921195 0.84 MEN1 (0.52) KCNH2ALOX15L3MBTL1MAPTHSD17B10
SCHEMBL921193 0.84 MEN1 (0.52) KCNH2ALOX15L3MBTL1MAPTHSD17B10
SCHEMBL704856 0.81 KCNH2 (0.44) KCNH2ALOX15MAPTHSD17B10CBX7
SCHEMBL704857 0.81 KCNH2 (0.44) KCNH2ALOX15MAPTHSD17B10CBX7
SCHEMBL704086 0.80 KCNH2 (0.47) KCNH2MAPTPIK3CGPOLBALDH1A1
SCHEMBL704085 0.80 KCNH2 (0.47) KCNH2MAPTPIK3CGPOLBALDH1A1
SCHEMBL707118 0.80 KCNH2 (0.50) KCNH2ALOX15L3MBTL1MAPTPIK3CG
Trifluoroacetic Acid SCHEMBL707289 0.80 KCNH2 (0.54) KCNH2ALOX15MAPTHSD17B10CBX7

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 KCNH2 4242/4885ALOX15 935/4885L3MBTL1 1630/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885ALOX15 935/4885L3MBTL1 1630/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885ALOX15 935/4885L3MBTL1 1630/4885

“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.