SCHEMBL708198

SCHEMBL708198

COc1ccc2c(c1)N(C(C)CN1CCN(C(=O)O)CC1)C(=O)CO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3033382 0.77 HTT (0.51) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL2950968 0.76 HTT (0.51) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL2947181 0.70 HTT (0.70) HTTMAPTCBX7CDYL2CDYL
SCHEMBL4098126 0.70 ALOX15 (0.49) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL4098128 0.70 ALOX15 (0.49) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL2951260 0.68 HTT (0.44) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL4098307 0.68 L3MBTL1 (0.51) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL4098310 0.68 L3MBTL1 (0.51) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL4100446 0.68 L3MBTL1 (0.48) HTTMAPTHSD17B10CBX7CDYL2
SCHEMBL4100445 0.68 L3MBTL1 (0.48) HTTMAPTHSD17B10CBX7CDYL2

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 HTT 2931/4885MAPT 2405/4885HSD17B10 3190/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HTT 2931/4885MAPT 2405/4885HSD17B10 3190/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HTT 2931/4885MAPT 2405/4885HSD17B10 3190/4885

“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.