SCHEMBL16619808

SCHEMBL16619808

CCn1cc(C=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 3/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 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
SCHEMBL16619395 0.82 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL1093920 0.82 ALDH1A1 (0.65) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL13699783 0.81 GAA (0.54) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL18015845 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL17968732 0.79 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22450720 0.79 PTGER4 (0.52) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL22122327 0.79 GAA (0.52) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL16729368 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL13152035 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1785990 0.77 BCHE (0.57) ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 GAA 127/4885PDE4A 590/4885PDE4B 574/4885

“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.