SCHEMBL705075

SCHEMBL705075

CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)ccc3c(F)cc(F)cc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
OPRM1 P35372 4/20 0.35
TMEM97 Q5BJF2 2/20 0.35
CCR3 P51677 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL707496 0.91 KCNH2 (0.35) KCNH2UBE2MDCUN1D1OPRM1TMEM97
SCHEMBL706408 0.91 KCNH2 (0.34) KCNH2UBE2MDCUN1D1OPRM1TMEM97
SCHEMBL707379 0.89 KCNH2 (0.41) KCNH2DCUN1D1
SCHEMBL706980 0.88 KCNH2 (0.44) KCNH2UBE2MDCUN1D1
SCHEMBL707961 0.86 KCNH2 (0.40) KCNH2OPRM1TMEM97CCR3
SCHEMBL707006 0.83 TNKS (0.35) KCNH2UBE2MDCUN1D1TNKSPARP1
SCHEMBL9986083 0.83 KCNH2 (0.53) KCNH2
SCHEMBL707422 0.82 DRD2 (0.38) KCNH2OPRM1TMEM97CCR3DRD2
SCHEMBL707111 0.79 KCNH2 (0.45) KCNH2
SCHEMBL921522 0.79 CNR2 (0.42) 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 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 KCNH2 4242/4885UBE2M 1931/4885DCUN1D1 2937/4885

“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.