SCHEMBL3497449

SCHEMBL3497449

C[Si](C)(C)CCCN1C(c2ccc(C(F)(F)F)cc2)CC(CC(=O)O)C2CCCCC21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.40
PSEN2 P49810 16/20 0.40
APH1B Q8WW43 16/20 0.40
NCSTN Q92542 16/20 0.40
APH1A Q96BI3 16/20 0.40
PSENEN Q9NZ42 16/20 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
SCHEMBL13405599 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13405602 0.90 MAPK1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3498332 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3496935 0.74 PDE2A (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13405600 0.73 MAPK1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3496996 0.69 PAX8 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3498209 0.66 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3497498 0.66 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8156774 0.64 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3498542 0.64 PSEN1 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US disclosed
EP-2120584-B1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2012-06-20 EP disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 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-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM PSEN1 1/4885PSEN2 2/4885APH1B 163/4885

“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.