SCHEMBL8268207

SCHEMBL8268207

O=C(O)C[C@H]1CCN(Cc2ccccc2)C([C@@H]2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.37
▸ BCHE P06276 3/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ TEAD1 P28347 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL13513892 0.94 CHRM4 (0.36) CHRM4LTA4HTEAD1KMT2A
SCHEMBL8268946 0.92 PSEN1 (0.40) LTA4HPSEN1PSEN2APH1BNCSTN
SCHEMBL13611497 0.92 TEAD1 (0.43) CHRM4PSEN1PSEN2APH1BNCSTN
SCHEMBL13513826 0.92 MAPT (0.38) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL8269820 0.92 FFAR4 (0.38) CHRM4FAAHMEN1KMT2A
SCHEMBL13611435 0.91 ALDH1A1 (0.41) CHRM4FAAHMEN1LMNAKMT2A
SCHEMBL13611862 0.91 MCHR1 (0.37) —
SCHEMBL8268947 0.90 PSEN1 (0.42) ACHEBCHEPSEN1PSEN2APH1B
SCHEMBL8269818 0.90 CXCR4 (0.37) CYP2C19
SCHEMBL8269821 0.90 TEAD1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
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
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 — — 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP ACHE 20/4885BCHE 52/4885CYP2C9 4080/4885

“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.

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