SCHEMBL16620090

SCHEMBL16620090

Cn1cc(NCCO)c2cc(C(F)(F)F)cc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
IL1B P01584 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
APOL1 O14791 1/20 0.31
CDK1 P06493 1/20 0.31
GBA1 P04062 1/20 0.31
TRPA1 O75762 2/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CYP1A2 P05177 1/20 0.30
RECQL P46063 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
SCHEMBL18014681 0.83 CYP2C19 (0.33) KDM4EPCSK9RECQL
SCHEMBL16729577 0.75 PSEN1 (0.38) SCN5ASCN9APSEN1PSEN2APH1B
SCHEMBL16618947 0.69 ALDH1A1 (0.44) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL1972751 0.65 P2RX1 (0.46) IL1BCDK1TRPA1CYP1A2
SCHEMBL16883497 0.64 VDR (0.49) IL1BCDK1GBA1CYP1A2
SCHEMBL17604064 0.62 CDK1 (0.61) CDK1
SCHEMBL1855953 0.60 CCNC (0.55) CCNCCDK8CYP1A2
SCHEMBL5023620 0.60 ALDH1A1 (0.51) KDM4ECDK1
SCHEMBL31104518 0.59 MLLT1 (0.39)
SCHEMBL28067785 0.59 ALDH1A1 (0.50) KDM4ECDK1

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 KDM4E 2364/4885IL1B 3093/4885SCN5A 1007/4885

“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.