SCHEMBL3586062

SCHEMBL3586062

O=C(O)C[C@@H]1CCN(C(CCC(F)(F)F)CCC(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.89
PSEN2 P49810 20/20 0.89
APH1B Q8WW43 20/20 0.89
NCSTN Q92542 20/20 0.89
APH1A Q96BI3 20/20 0.89
PSENEN Q9NZ42 20/20 0.89

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
SCHEMBL3581394 1.00 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3581391 1.00 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8227560 0.97 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3587018 0.97 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2886698 0.95 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13503486 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8230471 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3584832 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3587830 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8231274 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 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-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 PSEN1 2/4885PSEN2 4/4885APH1B 7/4885

“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.