SCHEMBL8269802

SCHEMBL8269802

COC(=O)C[C@H]1CCN(c2ccc(Cl)cc2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ KHK P50053 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DEGS1 O15121 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31

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
SCHEMBL13513767 0.89 PSEN1 (0.39) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8269169 0.81 GPBAR1 (0.36) HTT
SCHEMBL13611493 0.81 NR1H2 (0.41) DRD2DRD4
SCHEMBL8268907 0.81 PSEN1 (0.39) DRD2DRD3PSEN1PSEN2APH1B
SCHEMBL8268901 0.81 FFAR4 (0.40) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8267563 0.80 S1PR1 (0.33) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8267588 0.80 FFAR4 (0.39) DRD2DRD3FFAR1PSEN1PSEN2
SCHEMBL8267595 0.78 SCN1A (0.37) FFAR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL13513834 0.77 HTR1A (0.33) DRD2PSEN1PSEN2APH1BNCSTN
SCHEMBL8269180 0.77 KDM4E (0.41) ALDH1A1MEN1LMNAMAPTMAPK1

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 3 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
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 DRD2 953/4885DRD3 2245/4885FFAR1 1996/4885

“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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