SCHEMBL706080

SCHEMBL706080

COc1ccc2c(c1)N(CCCN1CCNCC1)C(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
MCHR1 Q99705 2/20 0.53
CHRM1 P11229 5/20 0.51
KCNH2 Q12809 2/20 0.51
SMPD1 P17405 1/20 0.46
PIK3CG P48736 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
TP53 P04637 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 SCHEMBL707109 0.92 CHRM1 (0.49) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL30665902 0.89 DRD2 (0.58) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL4102444 0.82 CHRM1 (0.67) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL4047656 0.82 L3MBTL1 (0.53) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL13071334 0.80 KCNH2 (0.51) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL708034 0.79 L3MBTL1 (0.52) KCNH2SMPD1PIK3CGL3MBTL1MAPT
SCHEMBL704556 0.78 KCNH2 (0.61) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL707712 0.78 KCNH2 (0.68) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL708294 0.76 DRD2 (0.47) DRD2HTR2AMCHR1CHRM1KCNH2
SCHEMBL708293 0.76 DRD2 (0.47) DRD2HTR2AMCHR1CHRM1KCNH2

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 DRD2 3243/4885HTR2A 4860/4885MCHR1 4238/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885HTR2A 4860/4885MCHR1 4238/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885HTR2A 4860/4885MCHR1 4238/4885

“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.