SCHEMBL6883571

SCHEMBL6883571

CC(C)(C)OC(=O)N1CCC(Sc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.47
▸ PIK3CD O00329 1/20 0.43
▸ USP30 Q70CQ3 8/20 0.40
▸ GCK P35557 1/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ EEF2K O00418 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ NEK4 P51957 1/20 0.39
▸ PRKG2 Q13237 1/20 0.39
▸ PKN2 Q16513 1/20 0.39

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
SCHEMBL6881102 0.80 GPR119 (0.53) GPR119PIK3CDROCK2ROCK1EEF2K
SCHEMBL6881911 0.79 PIK3CD (0.54) GPR119PIK3CDROCK2PDE4B
SCHEMBL6881915 0.79 PIK3CD (0.54) GPR119PIK3CDROCK2PDE4B
SCHEMBL6881798 0.78 GPR119 (0.50) GPR119PIK3CDUSP30PDE4B
SCHEMBL6881795 0.78 GPR119 (0.50) GPR119PIK3CDUSP30PDE4B
SCHEMBL6881830 0.78 GPR119 (0.50) GPR119PIK3CDUSP30PDE4B
SCHEMBL20002136 0.77 GPR119 (0.49) GPR119USP30
SCHEMBL1881361 0.77 GPR119 (0.49) GPR119USP30
SCHEMBL22411845 0.76 MAPT (0.51) GPR119
SCHEMBL18056285 0.75 ROCK2 (0.44) GPR119ROCK2ROCK1CHEK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 — — EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 — — EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 — — US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 — — US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 — — 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B GPR119 418/4885PIK3CD 3889/4885USP30 3853/4885

“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