SCHEMBL708246

SCHEMBL708246

NC1CCN(CCN2C(=O)COc3ccc(Cl)cc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.59
KCNH2 Q12809 1/20 0.58
DRD4 P21917 1/20 0.55
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC5A1 P13866 2/20 0.47
SLC5A2 P31639 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.46
UTS2R Q9UKP6 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
SCHEMBL706643 0.87 KCNH2 (0.57) KMOKCNH2DRD4
SCHEMBL706664 0.86 KCNH2 (0.58) KCNH2DRD4
SCHEMBL705690 0.86 CYP3A4 (0.57) HTTPOLBMEN1KMT2AHSD17B10
SCHEMBL708349 0.83 KCNH2 (0.59) KMOKCNH2DRD4
SCHEMBL704556 0.83 KCNH2 (0.61) KCNH2POLBMAPTALOX15HSD17B10
SCHEMBL708578 0.83 DRD4 (0.62) KCNH2DRD4HTT
SCHEMBL922935 0.83 KMO (0.61) KMOKCNH2DRD4USP2HTT
SCHEMBL707635 0.82 KCNH2 (0.60) KMOKCNH2HTTMAPTALOX15
SCHEMBL708850 0.82 KCNH2 (0.60) KCNH2POLBMAPTKMT2A
SCHEMBL708100 0.82 KCNH2 (0.60) KMOKCNH2DRD4MEN1KMT2A

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 KMO 2826/4885KCNH2 4242/4885DRD4 3610/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMO 2826/4885KCNH2 4242/4885DRD4 3610/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMO 2826/4885KCNH2 4242/4885DRD4 3610/4885

“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.