SCHEMBL4538644

SCHEMBL4538644

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
GCGR P47871 2/20 0.41
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
THRB P10828 1/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4541014 0.93 SYK (0.39) SYKGCGRPSEN1PSEN2APH1B
SCHEMBL8047507 0.87 GCGR (0.48) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL11988673 0.87 GCGR (0.44) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4535873 0.82 PSEN1 (0.53) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4540532 0.80 RXRA (0.47) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL11988676 0.80 PSEN1 (0.40) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL3658822 0.79 PSEN1 (0.39) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL4449020 0.77 PSEN1 (0.51) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4538152 0.76 PSEN1 (0.69) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL11988674 0.76 PSEN1 (0.56) GCGRPSEN1PSEN2APH1BNCSTN

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
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
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

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 SYK 1500/4885GCGR 423/4885PSEN1 4/4885

“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.