SCHEMBL4536996

SCHEMBL4536996

CC(C)CCN(Cc1ccc(C#N)cc1)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(CC(C)C)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.57
PSEN2 P49810 3/20 0.57
APH1B Q8WW43 3/20 0.57
NCSTN Q92542 3/20 0.57
APH1A Q96BI3 3/20 0.57
PSENEN Q9NZ42 3/20 0.57
APP P05067 1/20 0.41
RXRA P19793 1/20 0.39
RXRG P48443 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
KIF11 P52732 1/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 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
SCHEMBL3655164 1.00 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11988687 0.93 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535058 0.93 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660352 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655994 0.91 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4531904 0.88 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656985 0.88 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537691 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655198 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8049688 0.86 PSEN1 (0.61) 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
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
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-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.