SCHEMBL13836554

SCHEMBL13836554

N[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
KIF11 P52732 1/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
TACR1 P25103 3/20 0.37
NOTUM Q6P988 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL13836191 0.79 LIPC (0.37) MAOAMAOB
SCHEMBL13836326 0.79 TACR1 (0.39) TACR1MAOA
SCHEMBL6917695 0.78 MGLL (0.35) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL6917109 0.78 MGLL (0.35) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13836506 0.76 FFAR4 (0.38) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13836267 0.74 P2RY14 (0.46) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13836451 0.74 P2RY14 (0.46) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13836539 0.73 PSEN1 (0.36) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL6917699 0.73 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1410689 0.71 FFAR4 (0.44) FFAR4TACR1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 FFAR4 1847/4885KIF11 4547/4885PSEN1 3/4885

“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.