SCHEMBL708057

SCHEMBL708057

COC(=O)[C@@H]1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CC[C@H]1N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC18A2 Q05940 4/20 0.36
HTR2A P28223 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35

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
SCHEMBL708863 1.00 SSTR2 (0.36) SSTR2SLC6A3SLC18A2HTR2AGRIN1
SCHEMBL2698574 0.89 GRIN1 (0.33) SSTR2SLC6A3SLC18A2HTR2AGRIN1
SCHEMBL2700729 0.89 GRIN1 (0.33) SSTR2SLC6A3SLC18A2HTR2AGRIN1
SCHEMBL5132622 0.85 GRIN1 (0.37) HTR2AGRIN1GRIN2BSLC6A4
SCHEMBL704112 0.85 GRIN1 (0.37) HTR2AGRIN1GRIN2BSLC6A4
SCHEMBL1525634 0.83 CYP19A1 (0.45) HTR2AGRIN1GRIN2BSLC6A4
SCHEMBL706831 0.83 CYP19A1 (0.45) HTR2AGRIN1GRIN2BSLC6A4
SCHEMBL703729 0.80 CPB1 (0.49) SLC6A3SLC18A2HTR2A
SCHEMBL704762 0.80 CPB1 (0.49) SLC6A3SLC18A2HTR2A
SCHEMBL708058 0.80 ACKR3 (0.35) SLC6A3SLC18A2HTR2AGRIN1GRIN2B

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SSTR2 4869/4885SLC6A3 4368/4885SLC18A2 4821/4885

“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.