SCHEMBL3655356

SCHEMBL3655356

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 1/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
SYK P43405 1/20 0.41
TRPM2 O94759 1/20 0.40

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
SCHEMBL491476 0.86 PPARD (0.48) PPARDPPARAPPARGRXRARXRB
SCHEMBL3654570 0.82 PPARD (0.39) PPARDPPARAPPARGRXRARXRB
SCHEMBL3651171 0.82 RXRA (0.54) PPARDPPARAPPARGRXRARXRB
SCHEMBL11988716 0.82 PPARD (0.43) PPARDPPARAPPARGRXRARXRB
SCHEMBL491528 0.80 RXRA (0.47) PPARDPPARAPPARGRXRARXRB
SCHEMBL1045007 0.79 MAPT (0.56) PPARAPPARGKDM4EMEN1HSP90AA1
SCHEMBL3658822 0.79 PSEN1 (0.39) PPARDPPARAPPARGRXRARXRB
SCHEMBL477855 0.78 PSEN1 (0.60) PPARDPPARAPPARGRXRARXRB
SCHEMBL3566076 0.78 PPARD (0.44) PPARDPPARAPPARGRXRARXRB
SCHEMBL3656393 0.78 DHFR (0.39) PPARDPPARAPPARGRXRARXRB

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
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
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
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 PPARD 4145/4885PPARA 4198/4885PPARG 3754/4885

“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.