SCHEMBL4114950

SCHEMBL4114950

NCC(=O)NC(CC1CCOCC1)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.44
▸ GRM4 Q14833 5/20 0.42
▸ GCK P35557 2/20 0.42
▸ AKT1 P31749 1/20 0.40
▸ PDF Q9HBH1 3/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ DEGS1 O15121 1/20 0.38

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
SCHEMBL2668369 0.86 GRM5 (0.48) GRM5GRM4GCKPDF
SCHEMBL4114224 0.85 GRM5 (0.50) GRM5PDF
SCHEMBL2668370 0.85 GCK (0.44) GRM5GRM4GCKAKT1PDF
SCHEMBL4102212 0.83 GRM5 (0.46) GRM5GRM4GCKAKT1PDF
SCHEMBL4102259 0.82 AAK1 (0.48) GRM5GRM4GCK
SCHEMBL4114863 0.82 GRM5 (0.42) GRM5GRM4GCKPSEN1PSEN2
SCHEMBL2659105 0.73 GCK (0.70) GCK
SCHEMBL2651453 0.73 GCK (0.70) GCK
SCHEMBL2651196 0.73 GCK (0.70) GCK
SCHEMBL4114293 0.72 GRM5 (0.46) GRM5GCKAKT1PDF

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-8173645-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-05-08 — — US disclosed
US-20090099163-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2009-04-16 — — 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 (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-20090099163-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM5 2182/4885GRM4 2591/4885GCK 1/4885

“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.

Send feedback