SCHEMBL13405602

SCHEMBL13405602

COC(=O)C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC[Si](C)(C)C)[C@H]2CCCC[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSEN1 P49768 8/20 0.34
PSEN2 P49810 8/20 0.34
APH1B Q8WW43 8/20 0.34
NCSTN Q92542 8/20 0.34
APH1A Q96BI3 8/20 0.34
PSENEN Q9NZ42 8/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KHK P50053 1/20 0.33
ACHE P22303 1/20 0.32

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 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3497449 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13405600 0.84 MAPK1 (0.36) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL3498332 0.75 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13439100 0.72 NR1H2 (0.31)
SCHEMBL8152875 0.72 KDM4E (0.39) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL8160590 0.72 KDM4E (0.39) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL3496935 0.72 PDE2A (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709470 0.66 KDM4E (0.40) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL1709471 0.65 KDM4E (0.40) MAPK1KDM4EALDH1A1POLBGAA

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
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US 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 MAPK1 1936/4885KDM4E 2685/4885ALDH1A1 804/4885

“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.