SCHEMBL708058

SCHEMBL708058

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KCNH2 Q12809 2/20 0.34
SLC18A2 Q05940 3/20 0.33
HTR2A P28223 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL708864 1.00 ACKR3 (0.35) ACKR3GRIN1GRIN2BKCNH2SLC18A2
SCHEMBL2698574 0.85 GRIN1 (0.33) GRIN1GRIN2BKCNH2SLC18A2HTR2A
SCHEMBL2700729 0.85 GRIN1 (0.33) GRIN1GRIN2BKCNH2SLC18A2HTR2A
SCHEMBL2696554 0.83 CPB1 (0.41) ACKR3KCNH2SLC18A2HTR2ASLC6A3
SCHEMBL2699307 0.83 CPB1 (0.41) ACKR3KCNH2SLC18A2HTR2ASLC6A3
SCHEMBL707579 0.82 KCNH2 (0.35) ACKR3KCNH2
SCHEMBL708869 0.82 KCNH2 (0.35) ACKR3KCNH2
SCHEMBL708868 0.82 KCNH2 (0.35) ACKR3KCNH2
SCHEMBL707578 0.82 KCNH2 (0.35) ACKR3KCNH2
SCHEMBL708863 0.80 SSTR2 (0.36) GRIN1GRIN2BSLC18A2HTR2ASLC6A3

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 ACKR3 4336/4885GRIN1 4665/4885GRIN2B 4858/4885

“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.