SCHEMBL3496996

SCHEMBL3496996

O=C(O)CC1CC(c2ccc(C(F)(F)F)cc2)NC2CCCCC12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.39
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
DPEP1 P16444 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
F2R P25116 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8152875 0.87 KDM4E (0.39) PAX8RXFP1F2R
SCHEMBL8160590 0.87 KDM4E (0.39) PAX8RXFP1F2R
SCHEMBL27404045 0.71 HTR2C (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2861143 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21820688 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2493402 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3587894 0.69 TACR1 (0.44)
SCHEMBL4493249 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2712838 0.69 TACR1 (0.44)
SCHEMBL2712836 0.69 TACR1 (0.44)

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-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
EP-2120584-A1 SILYLATED PIPERIDINE DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085301-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK & CO., INC. (US) 2008-07-17 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-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM PAX8 4843/4885PSEN1 1/4885PSEN2 2/4885

“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.