SCHEMBL706182

SCHEMBL706182

CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)ccc3ccc(C#N)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.55
SCN7A Q01118 2/20 0.46
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
CCR9 P51686 2/20 0.39
CCR5 P51681 3/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
KDM2B Q8NHM5 2/20 0.37

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
SCHEMBL707961 0.86 KCNH2 (0.40) KCNH2CCR5
SCHEMBL706977 0.86 KCNH2 (0.40) KCNH2CCR9CCR5
SCHEMBL708597 0.85 KCNH2 (0.51) KCNH2
SCHEMBL707379 0.85 KCNH2 (0.41) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL707084 0.85 DRD2 (0.42) KCNH2CCR5
SCHEMBL707943 0.85 KCNH2 (0.51) KCNH2
SCHEMBL706674 0.84 KCNH2 (0.45) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL707362 0.81 KCNH2 (0.41) KCNH2CCR9
SCHEMBL706980 0.81 KCNH2 (0.44) KCNH2SCN7ADCUN1D1
SCHEMBL921237 0.80 KCNH2 (0.63) KCNH2SCN7ASCN5ASCN2ASCN8A

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
EP-3746438-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Cadila Healthcare Limited (IN) 2020-12-09 EP disclosed
WO-2019145919-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2019-08-01 WO 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

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 KCNH2 4242/4885SCN7A 4165/4885SCN5A 2187/4885

“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.