SCHEMBL705166

SCHEMBL705166

Cn1c(=O)c2ccc(F)cc2n(CCN2CCC(N)CC2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
SLC6A4 P31645 4/20 0.45
CCR3 P51677 1/20 0.39
ACHE P22303 2/20 0.38
DPP4 P27487 3/20 0.38
PLK1 P53350 1/20 0.38

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 SCHEMBL706416 0.92 DRD2 (0.39) DRD2SLC6A4CCR3DPP4
SCHEMBL924021 0.83 CNR2 (0.47) DRD2SLC6A4
SCHEMBL707422 0.80 DRD2 (0.38) DRD2SLC6A4CCR3
SCHEMBL4303624 0.79 HTR2C (0.43) DRD2SLC6A4
SCHEMBL27780802 0.76 KCNH2 (0.43) DRD2SLC6A4DPP4
SCHEMBL705731 0.76 KCNH2 (0.40) DRD2SLC6A4ACHE
SCHEMBL706822 0.76 KCNH2 (0.43) DRD2SLC6A4
Hydrochloric Acid SCHEMBL3840015 0.76 KCNH2 (0.42) DRD2SLC6A4DPP4
Hydrochloric Acid SCHEMBL3870194 0.75 KCNH2 (0.43) DRD2SLC6A4
SCHEMBL706071 0.72 KCNH2 (0.52)

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 3243/4885SLC6A4 4722/4885CCR3 2346/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885SLC6A4 4722/4885CCR3 2346/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885SLC6A4 4722/4885CCR3 2346/4885

“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.