SCHEMBL3660024

SCHEMBL3660024

CC(C)CC(C(=O)O)c1cc(NCc2ccc(C#N)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.62
PSEN2 P49810 3/20 0.62
APH1B Q8WW43 3/20 0.62
NCSTN Q92542 3/20 0.62
APH1A Q96BI3 3/20 0.62
PSENEN Q9NZ42 3/20 0.62
PPARA Q07869 3/20 0.46
VNN1 O95497 3/20 0.44
APP P05067 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
FFAR1 O14842 3/20 0.41
ADRA2A P08913 1/20 0.41
KIF11 P52732 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3659933 1.00 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11988700 0.93 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657523 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542309 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4532512 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661899 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4531922 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662794 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3913236 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3652743 0.88 PSEN1 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
EP-2212277-A1 AMINE LINKED MODULATORS OF Y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 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-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 6/4885

“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.