SCHEMBL703756

SCHEMBL703756

CO[C@H]1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 2/20 0.33
HRH2 P25021 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL1525662 1.00 GRIN1 (0.37) GRIN1GRIN2BKCNH2OPRM1HRH2
SCHEMBL704112 0.83 GRIN1 (0.37) GRIN1GRIN2BKCNH2
SCHEMBL5132622 0.83 GRIN1 (0.37) GRIN1GRIN2BKCNH2
SCHEMBL703868 0.77 UBE2M (0.34) OPRM1UBE2MDCUN1D1TMEM97
SCHEMBL1525667 0.73 KMT2A (0.42) OPRM1
SCHEMBL7296841 0.73 KMT2A (0.42) OPRM1
SCHEMBL707641 0.73 KMT2A (0.42) OPRM1
SCHEMBL704762 0.72 CPB1 (0.49)
SCHEMBL703729 0.72 CPB1 (0.49)
SCHEMBL705731 0.71 KCNH2 (0.40) KCNH2

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 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.