SCHEMBL16618947

SCHEMBL16618947

Cn1cc(C=O)c2cc(C(F)(F)F)cc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
IMPDH2 P12268 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ERN1 O75460 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL18014683 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EIMPDH2HTR1DHTR1B
SCHEMBL16729577 0.79 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16619395 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EIMPDH2HTR1DPSEN1
SCHEMBL1093392 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EIMPDH2ERN1
SCHEMBL16629531 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EIMPDH2HTR1DHTR1B
SCHEMBL29937091 0.69 ALOX5AP (0.37) ERN1ALOX5APFEN1
SCHEMBL16620090 0.69 KDM4E (0.34) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL18298847 0.68 ALDH1A1 (0.42) ALDH1A1KDM4EIMPDH2HTR1DHTR1B
SCHEMBL11096934 0.68 ALDH1A1 (0.52) ALDH1A1KDM4EIMPDH2HTR1DPSEN1
SCHEMBL20670860 0.65 ALOX5AP (0.40) ALDH1A1KDM4EERN1ALOX5APFEN1

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 7 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
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
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
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 ALDH1A1 1923/4885KDM4E 2364/4885IMPDH2 1323/4885

“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.