SCHEMBL3744409

SCHEMBL3744409

CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2ccccc2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
RORC P51449 3/20 0.48
TACR1 P25103 2/20 0.45
USP30 Q70CQ3 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
NR1H2 P55055 1/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 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
SCHEMBL13077736 1.00 PDE4B (0.48) PDE4BRORCTACR1USP30GPR119
SCHEMBL3734998 0.88 PDE4B (0.58) PDE4BRORCTACR1USP30NR1H2
SCHEMBL13078101 0.88 PDE4B (0.58) PDE4BRORCTACR1USP30NR1H2
SCHEMBL31450144 0.85 PDE4B (0.48) PDE4BRORCTACR1USP30GPR119
SCHEMBL16780215 0.85 RORC (0.51) PDE4BRORCTACR1USP30GPR119
SCHEMBL16780714 0.85 PDE4B (0.48) PDE4BRORCTACR1USP30GPR119
SCHEMBL16780715 0.85 PDE4B (0.48) PDE4BRORCTACR1USP30GPR119
SCHEMBL16780217 0.85 RORC (0.51) PDE4BRORCTACR1USP30GPR119
SCHEMBL13858400 0.85 RORC (0.51) PDE4BRORCTACR1USP30GPR119
SCHEMBL16780718 0.85 PDE4B (0.48) PDE4BRORCTACR1USP30GPR119

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-2231558-B1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
US-8354545-B2 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-01-15 US disclosed
US-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-11-04 US disclosed
EP-2231558-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-2009078932-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-06-25 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-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 PDE4B 217/4885RORC 2563/4885TACR1 985/4885

“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.