SCHEMBL424987

SCHEMBL424987

CC(C)(C)OC(=O)NC1CCCC1N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
BTK Q06187 1/20 0.46
CTSK P43235 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR1 P32246 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL424988 1.00 CHRNA7 (0.50) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL10189601 1.00 CHRNA7 (0.50) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL10153346 0.97 CHRNA7 (0.53) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL421148 0.97 CHRNA7 (0.53) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL421147 0.97 CHRNA7 (0.53) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL20063738 0.95 CHRNA7 (0.55) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL31021493 0.95 CHRNA7 (0.52) CHRNA7BTKCTSKCHRNB4CHRNA3
SCHEMBL14376994 0.86 SIGMAR1 (0.47) CHRNA7CTSKKMT2AL3MBTL1SIGMAR1
SCHEMBL8893923 0.84 BTK (0.44) CHRNA7BTKCTSKCA1CA2
SCHEMBL27163784 0.83 BTK (0.42) CHRNA7BTKCTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
EP-2470498-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 EP disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 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 (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-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 CHRNA7 54/4885BTK 1845/4885CTSK 4168/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 CHRNA7 54/4885BTK 1845/4885CTSK 4168/4885

“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.