SCHEMBL478138

SCHEMBL478138

CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(S(C)(=O)=O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
BCL9 O00512 9/20 0.42
CTNNB1 P35222 9/20 0.42
APP P05067 1/20 0.38
CTSS P25774 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 2/20 0.36
MAP3K12 Q12852 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL478185 0.92 BCL9 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012779 0.90 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478167 0.90 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478203 0.90 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478100 0.89 BCL9 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478055 0.89 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478135 0.88 BCL9 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478370 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478285 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478267 0.87 PSEN1 (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 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.