SCHEMBL921997

SCHEMBL921997

O=C(O)NC1CCN(CCn2c(=O)ccc3c(F)cc(Br)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 4/20 0.39
KCNH2 Q12809 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 2/20 0.37
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL921522 0.90 CNR2 (0.42) CNR2KCNH2CHRM1SIGMAR1
SCHEMBL921298 0.86 CNR2 (0.41) CNR2KCNH2CHRM1DRD3SIGMAR1
SCHEMBL923075 0.85 KCNH2 (0.47) CNR2KCNH2DRD3
SCHEMBL4300959 0.84 CHRM1 (0.44) MAPTSMN1; SMN2CNR2MEN1KMT2A
SCHEMBL706100 0.83 KCNH2 (0.45) CNR2KCNH2MEN1KMT2ASIGMAR1
SCHEMBL706408 0.80 KCNH2 (0.34) KCNH2
SCHEMBL923934 0.79 KCNH2 (0.51) CNR2KCNH2CHRM1SIGMAR1
SCHEMBL921593 0.79 CNR2 (0.46) CNR2KCNH2CHRM1
SCHEMBL4300063 0.78 CNR2 (0.48) CNR2KCNH2CHRM1DRD3
SCHEMBL2686089 0.76 KCNH2 (0.61) KCNH2

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 3 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-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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAPT 2405/4885SMN1; SMN2 4251/4885CNR2 4145/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAPT 2405/4885SMN1; SMN2 4251/4885CNR2 4145/4885

“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.