SCHEMBL921533

SCHEMBL921533

CCS(=O)(=O)c1ccc2c(c1)N(CCN1CCC(NC(=O)O)CC1)C(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.53
KCNH2 Q12809 4/20 0.53
THRB P10828 1/20 0.51
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
DRD2 P14416 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50
MCHR1 Q99705 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.49
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL921359 0.92 KCNH2 (0.62) CHRM1KCNH2THRBKMT2ACHRM2
SCHEMBL920389 0.86 MEN1 (0.66) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL921527 0.84 KCNH2 (0.59) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL924009 0.84 KCNH2 (0.63) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL922935 0.84 KMO (0.61) CHRM1KCNH2THRBKMT2ACHRM2
SCHEMBL923592 0.84 KCNH2 (0.59) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL921108 0.83 KCNH2 (0.63) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL922952 0.82 KCNH2 (0.62) CHRM1KCNH2KMT2ACHRM2CHRM4
SCHEMBL705943 0.82 KCNH2 (0.46) CHRM1KCNH2THRBKMT2APOLB
SCHEMBL921491 0.81 KCNH2 (0.61) CHRM1KCNH2KMT2ACHRM2CHRM4

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
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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885KCNH2 4242/4885THRB 4811/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885KCNH2 4242/4885THRB 4811/4885

“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.