SCHEMBL705690

SCHEMBL705690

Cc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 4/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
PLK1 P53350 1/20 0.52
POLB P06746 3/20 0.50
CYP2D6 P10635 2/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.47

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) CYP3A4CYP2C19CYP2C9
SCHEMBL706664 0.86 KCNH2 (0.58) CYP3A4CYP2C19CYP2C9
SCHEMBL708246 0.86 KMO (0.59) HTTMEN1KMT2APOLBHSD17B10
SCHEMBL16897903 0.85 CYP3A4 (0.61) CYP3A4CYP2C19CYP2C9TSHRHTT
SCHEMBL704556 0.85 KCNH2 (0.61) POLBHSD17B10
SCHEMBL708850 0.84 KCNH2 (0.60) CYP3A4CYP2C19CYP2C9KMT2APOLB
SCHEMBL707635 0.84 KCNH2 (0.60) CYP3A4CYP2C19CYP2C9TSHRHTT
SCHEMBL920389 0.84 MEN1 (0.66) CYP3A4CYP2C19CYP2C9TSHRHTT
SCHEMBL708349 0.83 KCNH2 (0.59) CYP3A4CYP2C19CYP2C9
SCHEMBL708578 0.83 DRD4 (0.62) HTTALDH1A1

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 CYP3A4 3414/4885CYP2C19 2306/4885CYP2C9 2013/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CYP3A4 3414/4885CYP2C19 2306/4885CYP2C9 2013/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CYP3A4 3414/4885CYP2C19 2306/4885CYP2C9 2013/4885

“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.