SCHEMBL16629844

SCHEMBL16629844

CCc1cn(C)c2ccc(C(F)(F)F)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
CMA1 P23946 1/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
PDE2A O00408 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
P2RX7 Q99572 4/20 0.30
HTR1D P28221 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
SCHEMBL18014799 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18540667 0.82 GPR84 (0.35) HTR2AHTR2CHTR2BGPR84HTR1D
SCHEMBL16729582 0.79 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22822514 0.72 HTR1D (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13360743 0.70 PDE2A (0.42) PDE2A
SCHEMBL12596196 0.69 ADRB2 (0.38) HTR2AHTR2CHTR2BGPR84HTR1D
SCHEMBL18015901 0.67 HTR1D (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5415312 0.65 GABRA1 (0.46) P2RX7
SCHEMBL4552632 0.65 CMA1 (0.52) CMA1HTR2AHTR2CHTR2BGPR84
SCHEMBL18508879 0.64 KDM4E (0.58) GPR84HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US 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 PSEN1 4/4885PSEN2 3/4885APH1B 7/4885

“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.