SCHEMBL6979204

SCHEMBL6979204

COC(C)N(CC(=O)O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
FFAR1 O14842 3/20 0.40
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MCHR1 Q99705 1/20 0.38
CLK1 P49759 1/20 0.38
S1PR1 P21453 1/20 0.37
GLA P06280 1/20 0.37
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
GSK3B P49841 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36

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
SCHEMBL23422467 0.80 ALDH1A1 (0.40) MAOBGLA
SCHEMBL7057421 0.76 FFAR1 (0.47) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL8104713 0.75 MAOB (0.40) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL7056650 0.74 KCNN4 (0.45) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL3830265 0.74 KCNN4 (0.47) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL9779957 0.74 FFAR1 (0.50) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL6982499 0.72 KCNN4 (0.54) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL3832721 0.71 FFAR1 (0.45) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL4837137 0.71 MAOB (0.40) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL5263127 0.71 GSK3B (0.46) MAOBFFAR1KCNN4KCNA5MMP12

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-20030166694-A1 Glycinamides MERCK PATENT GMBH (DE) 2003-09-04 US disclosed
EP-1284961-A1 GLYCINAMIDES MERCK PATENT GmbH (DE) 2003-02-26 EP disclosed
WO-2001092219-A1 GLYCINAMIDES MERCK PATENT GMBH (DE) 2001-12-06 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-20030166694-A1 Glycinamides F11, SERPINC1, F13A1 MAOB 1287/4885FFAR1 906/4885KCNN4 4233/4885

“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.