SCHEMBL25517550

SCHEMBL25517550

CC(=O)N1CC([N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA3 P32297 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
CHRNB4 P30926 2/20 0.43
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.32
NOTUM Q6P988 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GPR174 Q9BXC1 1/20 0.30

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
SCHEMBL25517038 0.78 EPHX2 (0.42) ALDH1A1HPGDCYP1A2TDP1SMN1; SMN2
SCHEMBL20695413 0.72 NR1H2 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL15060587 0.72 NLRP3 (0.35) ALDH1A1HPGDTDP1KDM4E
SCHEMBL9947429 0.70
SCHEMBL30674690 0.68 HTT (0.30)
SCHEMBL6631511 0.67 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL48889 0.67
SCHEMBL7741662 0.67
SCHEMBL1971629 0.67 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14193291 0.67 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN 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 (1 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 CHRNB2 4442/4885CHRNA3 4549/4885CHRNA4 4652/4885

“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.