SCHEMBL8268956

SCHEMBL8268956

O=C(O)C[C@H]1CCN(Cc2cc(Cl)ccc2C(F)(F)F)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ FAAH O00519 10/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 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
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ DDR1 Q08345 2/20 0.32
▸ RORC P51449 1/20 0.32

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
SCHEMBL8268949 0.92 GPBAR1 (0.36) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL13611611 0.90 FFAR4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8269829 0.90 FFAR4 (0.34) FFAR4RORC
SCHEMBL8269169 0.90 GPBAR1 (0.36) GPBAR1FAAHNOS3NOS1NOS2
SCHEMBL8269184 0.88 KDM4E (0.40) —
SCHEMBL8268946 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8268216 0.87 FFAR4 (0.32) FFAR4
SCHEMBL13513826 0.85 MAPT (0.38) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL13611614 0.85 FFAR4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8269818 0.85 CXCR4 (0.37) RORC

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 GPBAR1 873/4885FAAH 502/4885NOS3 770/4885

“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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