SCHEMBL13611598

SCHEMBL13611598

O=C(O)C[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2F)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 14/20 0.42
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ DGAT1 O75907 1/20 0.33

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
SCHEMBL13611611 0.91 FFAR4 (0.42) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL8268955 0.90 FFAR4 (0.38) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13611614 0.90 FFAR4 (0.40) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL8268223 0.88 FFAR4 (0.37) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13611497 0.86 TEAD1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8268235 0.85 FFAR4 (0.42) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13611435 0.85 ALDH1A1 (0.41) KMT2A
SCHEMBL8267625 0.84 FFAR4 (0.39) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL8269829 0.84 FFAR4 (0.34) FFAR4DGAT1
SCHEMBL8268949 0.84 GPBAR1 (0.36) FFAR4PSEN1PSEN2APH1BNCSTN

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-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 — — 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP FFAR4 2931/4885PSEN1 1/4885PSEN2 2/4885

“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.

Send feedback