SCHEMBL3658822

SCHEMBL3658822

CCOC(=O)Cc1cc(CNCCC(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HDAC1 Q13547 1/20 0.39
PPARD Q03181 5/20 0.38
PPARA Q07869 3/20 0.38
PPID Q08752 1/20 0.38
S1PR1 P21453 1/20 0.38
SYK P43405 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL11989119 0.86 RXRA (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657222 0.83 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656393 0.80 DHFR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655356 0.79 PPARD (0.44) PPARDPPARASYKRXRARXRB
SCHEMBL4538644 0.79 SYK (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3654169 0.78 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8059136 0.78 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491476 0.78 PPARD (0.48) PPARDPPARASYKRXRARXRB
SCHEMBL14415405 0.76 ALDH1A1 (0.53) HDAC1S1PR1MEN1KMT2A
SCHEMBL4541014 0.76 SYK (0.39) 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 9 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
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-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
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
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.