SCHEMBL1844295

SCHEMBL1844295

CC(C)CC(C(=O)O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.68
PSEN2 P49810 4/20 0.68
APH1B Q8WW43 4/20 0.68
NCSTN Q92542 4/20 0.68
APH1A Q96BI3 4/20 0.68
PSENEN Q9NZ42 4/20 0.68
APP P05067 1/20 0.49
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 4/20 0.41
KCNH2 Q12809 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1842746 0.95 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1842606 0.93 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1845016 0.92 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1842703 0.92 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1845807 0.91 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1843252 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1842607 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1844283 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1845738 0.91 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1841708 0.91 PSEN1 (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159544-A Pyridyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2011-08-17 CN disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 PSEN1 2/4885PSEN2 4/4885APH1B 7/4885

“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.