SCHEMBL24112751

SCHEMBL24112751

CNC(=O)OCC1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SCN9A Q15858 7/20 0.40
SCN5A Q14524 3/20 0.39
NAAA Q02083 1/20 0.39
ASAH1 Q13510 1/20 0.39
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL24740260 0.83 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23836198 0.83 NAAA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1752416 0.83
SCHEMBL25846419 0.80 SCN9A (0.36) SCN9ASCN5ANAAAASAH1LMNA
SCHEMBL27920617 0.80 NAAA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13435805 0.80 LMNA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8392246 0.80 LMNA (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8393968 0.78 LMNA (0.50) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL8392753 0.78 LMNA (0.50) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL29063243 0.77 SCN9A (0.36) SCN9ASCN5ANAAAASAH1LMNA

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 2 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
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO 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 PSEN1 1435/4885PSEN2 2129/4885APH1B 2851/4885

“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.