SCHEMBL704112

SCHEMBL704112

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNH2 Q12809 10/20 0.36
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL5132622 1.00 GRIN1 (0.37) GRIN1GRIN2BKCNH2DRD2SLC6A4
SCHEMBL708057 0.85 SSTR2 (0.36) GRIN1GRIN2BSLC6A4HTR2A
SCHEMBL708863 0.85 SSTR2 (0.36) GRIN1GRIN2BSLC6A4HTR2A
SCHEMBL706831 0.85 CYP19A1 (0.45) GRIN1GRIN2BKCNH2DRD2SLC6A4
SCHEMBL1525634 0.85 CYP19A1 (0.45) GRIN1GRIN2BKCNH2DRD2SLC6A4
SCHEMBL703756 0.83 GRIN1 (0.37) GRIN1GRIN2BKCNH2
SCHEMBL1525662 0.83 GRIN1 (0.37) GRIN1GRIN2BKCNH2
SCHEMBL2698574 0.82 GRIN1 (0.33) GRIN1GRIN2BKCNH2HTR2A
SCHEMBL2700729 0.82 GRIN1 (0.33) GRIN1GRIN2BKCNH2HTR2A
SCHEMBL705731 0.82 KCNH2 (0.40) KCNH2DRD2SLC6A4HTR2AHTR2C

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 8 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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO 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 GRIN1 4665/4885GRIN2B 4858/4885KCNH2 4242/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK GRIN1 4665/4885GRIN2B 4858/4885KCNH2 4242/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK GRIN1 4665/4885GRIN2B 4858/4885KCNH2 4242/4885

“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.