SCHEMBL708145

SCHEMBL708145

NC1CCN(CCn2c(=O)ccc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
CA9 Q16790 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
SCN7A Q01118 2/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 1/20 0.41
SLC6A4 P31645 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL706822 0.83 KCNH2 (0.43) SCN7ADRD2SLC6A4KCNH2HTR7
SCHEMBL11999872 0.83 KCNH2 (0.45) SCN7ASCN5ASCN2ASCN8AKCNH2
SCHEMBL31033172 0.82 SCN7A (0.56) CA12BRD4BRPF1CA9KAT2B
SCHEMBL8445196 0.82 SCN7A (0.43) SCN7ASCN5ASCN2ASCN8ACNR1
SCHEMBL4135687 0.82 KCNH2 (0.39) SCN7ADRD2SCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL3870194 0.82 KCNH2 (0.43) SCN7ADRD2SLC6A4KCNH2HTR7
Hydrochloric Acid SCHEMBL4131806 0.81 KCNH2 (0.38) SCN7ADRD2SCN5ASCN2ASCN8A
SCHEMBL922048 0.80 CNR2 (0.48) CNR1CNR2KCNH2
SCHEMBL706949 0.80 KCNH2 (0.56) KCNH2HTR7
SCHEMBL708277 0.80 KCNH2 (0.59) SCN7ASCN5ASCN2ASCN8AKCNH2

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 CA12 3603/4885BRD4 1559/4885BRPF1 1043/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CA12 3603/4885BRD4 1559/4885BRPF1 1043/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CA12 3603/4885BRD4 1559/4885BRPF1 1043/4885

“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.