SCHEMBL708745

SCHEMBL708745

CCOC(=O)CN(C/C=C/c1cc(F)ccc1F)C1CCN(CCN2C(=O)COc3ccc(C#N)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.41
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
CHRM1 P11229 6/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL708746 1.00 KCNH2 (0.41) KCNH2USP2HTTCHRM1CHRM5
SCHEMBL5048844 0.87 KCNH2 (0.41) KCNH2USP2HTTCHRM1CHRM5
SCHEMBL706227 0.80 KCNH2 (0.55) KCNH2CHRM1CHRM5CHRM3
SCHEMBL706228 0.80 KCNH2 (0.55) KCNH2CHRM1CHRM5CHRM3
SCHEMBL707477 0.73 CHRM1 (0.39) KCNH2CHRM1CHRM5CHRM3DRD2
SCHEMBL707478 0.73 CHRM1 (0.39) KCNH2CHRM1CHRM5CHRM3DRD2
SCHEMBL706162 0.72 KCNH2 (0.38) KCNH2CHRM1CHRM5CHRM3DRD2
SCHEMBL706163 0.72 KCNH2 (0.38) KCNH2CHRM1CHRM5CHRM3DRD2
SCHEMBL705187 0.71 KCNH2 (0.53) KCNH2HTTCHRM1CHRM5CHRM3
SCHEMBL921053 0.71 CHRM1 (0.36) KCNH2CHRM1CHRM5CHRM3POLB

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
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP claimed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US claimed
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 4242/4885USP2 3698/4885HTT 2931/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885USP2 3698/4885HTT 2931/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885USP2 3698/4885HTT 2931/4885

“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.