SCHEMBL6881895

SCHEMBL6881895

CC(C)(C)OC(=O)N1CC[C@H](Sc2ccc3c(c2)CC(=O)N3)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.53
DDB1 Q16531 5/20 0.42
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
GRIA1 P42261 2/20 0.40
SMYD3 Q9H7B4 6/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 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
SCHEMBL6881893 1.00 CRBN (0.53) CRBNDDB1GPR119KDM4EMAPT
SCHEMBL30847573 0.80 CRBN (0.58) CRBNDDB1GPR119KDM4EMAPT
SCHEMBL16047746 0.80 CRBN (0.58) CRBNDDB1GPR119KDM4EMAPT
SCHEMBL6884455 0.79 CRBN (0.51) CRBNGPR119SMYD3
SCHEMBL6884451 0.79 CRBN (0.51) CRBNGPR119SMYD3
SCHEMBL6881798 0.77 GPR119 (0.50) GPR119MAPTPTPN2PTPN1PTPN6
SCHEMBL6881830 0.77 GPR119 (0.50) GPR119MAPTPTPN2PTPN1PTPN6
SCHEMBL6881795 0.77 GPR119 (0.50) GPR119MAPTPTPN2PTPN1PTPN6
SCHEMBL28811700 0.77 ALDH1A1 (0.61) CRBNDDB1GPR119KDM4EMAPT
SCHEMBL20002136 0.76 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6

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 CRBN 753/4885DDB1 2357/4885GPR119 418/4885

“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.