SCHEMBL708578

SCHEMBL708578

NC1CCN(CCN2C(=O)COc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.62
CHRM1 P11229 11/20 0.58
KCNH2 Q12809 4/20 0.56
DRD2 P14416 5/20 0.55
HTR2A P28223 3/20 0.55
MCHR1 Q99705 3/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM3 P20309 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
ADRA1B P35368 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL4233191 0.93 CHRM1 (0.68) CHRM1KCNH2DRD2HTR2AMCHR1
SCHEMBL4434294 0.85 DRD4 (0.60) DRD4CHRM1KCNH2DRD2HTR2A
SCHEMBL706643 0.84 KCNH2 (0.57) DRD4CHRM1KCNH2
SCHEMBL31033170 0.84 DRD4 (0.67) DRD4CHRM1KCNH2DRD2HTR2A
SCHEMBL705690 0.83 CYP3A4 (0.57) ALDH1A1HTT
SCHEMBL706664 0.83 KCNH2 (0.58) DRD4CHRM1KCNH2DRD2HTR2A
SCHEMBL708246 0.83 KMO (0.59) DRD4KCNH2HTT
SCHEMBL5134628 0.83 DRD4 (0.66) DRD4CHRM1KCNH2DRD2HTR2A
SCHEMBL4890081 0.82 CHRM1 (0.58) DRD4CHRM1KCNH2DRD2HTR2A
SCHEMBL4428040 0.81 DRD4 (0.55) DRD4CHRM1KCNH2DRD2HTR2A

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 DRD4 3610/4885CHRM1 4854/4885KCNH2 4242/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD4 3610/4885CHRM1 4854/4885KCNH2 4242/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD4 3610/4885CHRM1 4854/4885KCNH2 4242/4885

“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.