SCHEMBL6881886

SCHEMBL6881886

CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.50
NAMPT P43490 1/20 0.50
STS P08842 3/20 0.48
TGFBR1 P36897 1/20 0.47
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL6881883 1.00 GPR119 (0.50) GPR119NAMPTSTSTGFBR1MMP1
SCHEMBL26966945 0.90 GPR119 (0.47) GPR119NAMPTSTSTGFBR1MMP1
SCHEMBL21426007 0.89 MMP13 (0.53) GPR119NAMPTSTS
SCHEMBL21426003 0.89 MMP13 (0.53) GPR119NAMPTSTS
SCHEMBL6880661 0.89 NAMPT (0.48) GPR119NAMPTSTSTGFBR1
SCHEMBL21426010 0.83 GPR119 (0.52) GPR119NAMPTSTSMMP1MMP3
SCHEMBL21426002 0.83 GPR119 (0.52) GPR119NAMPTSTSMMP1MMP3
SCHEMBL23546383 0.82 GPR119 (0.60) GPR119NAMPTSTS
SCHEMBL4768567 0.82 GPR119 (0.68) GPR119NAMPT
SCHEMBL21426005 0.82 MMP13 (0.49) GPR119NAMPTSTSMMP1MMP9

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 418/4885NAMPT 4025/4885STS 1528/4885

“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.