SCHEMBL20319924

SCHEMBL20319924

CCCN(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 1/20 0.42
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CA2 P00918 2/20 0.31
CPB2 Q96IY4 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA9 Q16790 1/20 0.30
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL2186961 0.87 HDAC6 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL28378832 0.84 HDAC6 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL23425907 0.83 HDAC6 (0.41) CA14CA12CA1CA7HDAC6
SCHEMBL29065457 0.82 CA14 (0.41) CA14CA12CA1CA7HDAC6
SCHEMBL3422199 0.82 CA14 (0.45) CA14CA12CA1CA7HDAC6
SCHEMBL19842207 0.81 NFKB1 (0.42) CA14CA12CA1CA7HDAC6
SCHEMBL4227252 0.81 HDAC6 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL3421552 0.79 CA14 (0.42) CA14CA12CA1CA7HDAC6
SCHEMBL21651913 0.78 CA12 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL2608081 0.77 CA14 (0.49) CA14CA12CA1CA7HDAC6

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-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 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-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 CA14 1606/4885CA12 1534/4885CA1 1321/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CA14 1606/4885CA12 1534/4885CA1 1321/4885

“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.