SCHEMBL851578

SCHEMBL851578

O=C(O)[C@@H]1NCCC[C@@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BLM P54132 1/20 0.50
ADAM10 O14672 1/20 0.44
ERBB2 P04626 1/20 0.44
ARG1 P05089 1/20 0.41
FABP7 O15540 2/20 0.41
FABP3 P05413 2/20 0.41
FABP5 Q01469 2/20 0.41
SSTR4 P31391 1/20 0.40
SLC1A2 P43004 1/20 0.40

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
SCHEMBL4074609 1.00 MEN1 (0.50) MEN1KMT2ABLMADAM10ERBB2
SCHEMBL16056887 1.00 MEN1 (0.50) MEN1KMT2ABLMADAM10ERBB2
SCHEMBL5203561 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
SCHEMBL199462 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
SCHEMBL199461 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
SCHEMBL199463 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
SCHEMBL350996 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
SCHEMBL4780406 0.89 SLC1A2 (0.47) MEN1KMT2ABLMSLC1A2
Proline SCHEMBL7447947 0.88 MEN1 (0.42) MEN1KMT2ABLMADAM10ERBB2
Hydrochloric Acid SCHEMBL2297672 0.88 SLC1A2 (0.46) MEN1KMT2ABLMSLC1A2

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 3 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

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 MEN1 3330/4885KMT2A 2789/4885BLM 4853/4885

“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.