SCHEMBL830669

SCHEMBL830669

CC(=O)N1CCC(c2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
TACR1 P25103 1/20 0.50
MC4R P32245 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
RIPK1 Q13546 3/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HHAT Q5VTY9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2297284 1.00 POLB (0.56) POLBTACR1MC4RHTTMEN1
SCHEMBL830668 1.00 POLB (0.56) POLBTACR1MC4RHTTMEN1
SCHEMBL16350188 0.90 POLB (0.56) POLBTACR1MC4RHTTMEN1
SCHEMBL5972730 0.88 ITGA4 (0.44) POLBTACR1MC4RLMNA
SCHEMBL5657809 0.88 ITGA4 (0.44) POLBTACR1MC4RLMNA
SCHEMBL5657812 0.88 ITGA4 (0.44) POLBTACR1MC4RLMNA
SCHEMBL20805978 0.84 MC4R (0.51) POLBMC4RMEN1TSHRKMT2A
SCHEMBL22926184 0.84 MC4R (0.51) POLBMC4RMEN1TSHRKMT2A
SCHEMBL13853719 0.83 TACR1 (0.44) POLBTACR1HTTRIPK1SLC6A2
SCHEMBL7546130 0.83 MC4R (0.41) POLBTACR1MC4RMEN1KMT2A

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
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 US disclosed
EP-2077719-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck and Co., Inc. (US) 2009-07-15 EP disclosed
WO-2008036316-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-27 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-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 POLB 236/4885TACR1 443/4885MC4R 4753/4885

“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.