SCHEMBL708910

SCHEMBL708910

NC1CCN(CCN2C(=O)COc3ccc(OC(F)(F)F)cc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.61
CHRM1 P11229 3/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
BRD4 O60885 1/20 0.41
DRD4 P21917 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL704556 0.86 KCNH2 (0.61) KCNH2CHRM1DRD2
Trifluoroacetic Acid SCHEMBL707289 0.85 KCNH2 (0.54) KCNH2CHRM1CYP3A4CYP2C9CYP2C19
SCHEMBL922179 0.85 KCNH2 (0.63) KCNH2CHRM1CHRM5CHRM3DRD2
SCHEMBL706664 0.83 KCNH2 (0.58) KCNH2CHRM1CHRM5CHRM3DRD4
SCHEMBL707733 0.82 KCNH2 (0.56) KCNH2CHRM1CHRM5CHRM3BRD4
SCHEMBL706643 0.82 KCNH2 (0.57) KCNH2CHRM1DRD4CYP3A4CYP2C9
SCHEMBL708246 0.81 KMO (0.59) KCNH2DRD4
SCHEMBL705690 0.81 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19
SCHEMBL707700 0.79 KCNH2 (0.62) KCNH2CHRM1CYP3A4CYP2C9CYP2C19
SCHEMBL708349 0.78 KCNH2 (0.59) KCNH2CHRM1DRD4CYP3A4CYP2C9

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 KCNH2 4242/4885CHRM1 4854/4885CHRM5 4669/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885CHRM5 4669/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885CHRM1 4854/4885CHRM5 4669/4885

“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.