SCHEMBL921298

SCHEMBL921298

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
KCNH2 Q12809 5/20 0.41
SIGMAR1 Q99720 3/20 0.39
MCHR1 Q99705 2/20 0.38
MCHR2 Q969V1 1/20 0.38
CHRM1 P11229 2/20 0.36
DRD3 P35462 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) CNR2KCNH2SIGMAR1MCHR1MCHR2
SCHEMBL921997 0.86 MAPT (0.39) CNR2KCNH2SIGMAR1CHRM1DRD3
SCHEMBL923934 0.85 KCNH2 (0.51) CNR2KCNH2SIGMAR1CHRM1
SCHEMBL921593 0.83 CNR2 (0.46) CNR2KCNH2MCHR1MCHR2CHRM1
SCHEMBL4300063 0.82 CNR2 (0.48) CNR2KCNH2MCHR1MCHR2CHRM1
SCHEMBL4300959 0.80 CHRM1 (0.44) CNR2SIGMAR1CHRM1
SCHEMBL707496 0.80 KCNH2 (0.35) KCNH2DRD3
SCHEMBL2686089 0.80 KCNH2 (0.61) KCNH2
SCHEMBL4301542 0.79 CNR2 (0.45) CNR2KCNH2MCHR1DRD3
SCHEMBL4302199 0.79 KCNH2 (0.47) CNR2KCNH2MCHR1MCHR2CHRM1

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 CNR2 4145/4885KCNH2 4242/4885SIGMAR1 3768/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CNR2 4145/4885KCNH2 4242/4885SIGMAR1 3768/4885

“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.