SCHEMBL921625

SCHEMBL921625

O=C(O)NC1CCN(CCN2C(=O)COc3ncc(Br)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 10/20 0.44
▸ KCNH2 Q12809 8/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL706467 0.83 KCNH2 (0.41) CHRM1KCNH2CHRM5DRD2CHRM3
SCHEMBL921527 0.82 KCNH2 (0.59) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL709503 0.81 CHRM1 (0.39) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL923142 0.76 CHRM1 (0.72) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL920389 0.76 MEN1 (0.66) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL923592 0.75 KCNH2 (0.59) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL920307 0.75 CHRM1 (0.52) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL922935 0.75 KMO (0.61) CHRM1KCNH2CHRM2CHRM4CHRM5
SCHEMBL707673 0.74 KCNH2 (0.81) KCNH2
SCHEMBL924009 0.73 KCNH2 (0.63) CHRM1KCNH2CHRM2CHRM4CHRM5

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 CHRM1 4854/4885KCNH2 4242/4885CHRM2 4875/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885KCNH2 4242/4885CHRM2 4875/4885

“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.

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