SCHEMBL704556

SCHEMBL704556

COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CO2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.61
CHRM1 P11229 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
MCHR1 Q99705 1/20 0.44
PIK3CG P48736 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL707289 0.92 KCNH2 (0.54) KCNH2CHRM1ALOX15NPC1POLB
SCHEMBL707118 0.86 KCNH2 (0.50) KCNH2CHRM1L3MBTL1ALOX15NPC1
SCHEMBL708910 0.86 KCNH2 (0.61) KCNH2CHRM1DRD2
SCHEMBL705690 0.85 CYP3A4 (0.57) POLBHSD17B10
SCHEMBL706836 0.85 KCNH2 (0.48) KCNH2L3MBTL1ALOX15NPC1POLB
SCHEMBL706835 0.85 KCNH2 (0.48) KCNH2L3MBTL1ALOX15NPC1POLB
SCHEMBL706643 0.84 KCNH2 (0.57) KCNH2CHRM1
SCHEMBL921108 0.84 KCNH2 (0.63) KCNH2CHRM1DRD2HTR2AMCHR1
SCHEMBL707700 0.83 KCNH2 (0.62) KCNH2CHRM1
SCHEMBL706664 0.83 KCNH2 (0.58) KCNH2CHRM1DRD2HTR2AMCHR1

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 8 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
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 (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 KCNH2 4242/4885CHRM1 4854/4885L3MBTL1 1630/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885L3MBTL1 1630/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885L3MBTL1 1630/4885

“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.