SCHEMBL706366

SCHEMBL706366

COC(=O)c1cc2ccc(OC)cc2n1CCN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
KCNA3 P22001 1/20 0.46
MCHR1 Q99705 2/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR9 P51686 1/20 0.40
CCR5 P51681 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL6369193 0.87 KCNH2 (0.54) KCNA3MCHR1DRD2DRD3PIK3CA
SCHEMBL706526 0.83 MTNR1A (0.58) MTNR1AMTNR1BMCHR1DRD2DRD3
SCHEMBL4303215 0.82 KCNH2 (0.49) KCNA3MCHR1DRD2DRD3PIK3CA
SCHEMBL1525703 0.79 KCNA3 (0.47) KCNA3MCHR1DRD2DRD3PIK3CA
SCHEMBL10285563 0.79 KCNH2 (0.58) KCNH2
SCHEMBL19094693 0.78 KCNH2 (0.49) KCNA3PIK3CAMTORPRKDCKCNH2
SCHEMBL13234465 0.77 KCNH2 (0.46) KCNA3DRD2DRD3PIK3CAMTOR
SCHEMBL11999871 0.76 KCNA3 (0.48) KCNA3DRD2DRD3KCNH2L3MBTL1
SCHEMBL3856834 0.75 KCNH2 (0.64) KCNH2
SCHEMBL922760 0.74 KCNH2 (0.58) MCHR1KCNH2

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 MTNR1A 3693/4885MTNR1B 3471/4885KCNA3 2764/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MTNR1A 3693/4885MTNR1B 3471/4885KCNA3 2764/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MTNR1A 3693/4885MTNR1B 3471/4885KCNA3 2764/4885

“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.