SCHEMBL8268955

SCHEMBL8268955

O=C(O)C[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2Cl)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRAP1 Q12931 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
SCHEMBL8268949 0.92 GPBAR1 (0.36) FFAR4CYP3A5PSEN1PSEN2APH1B
SCHEMBL13611611 0.90 FFAR4 (0.42) FFAR4FFAR1PSEN1PSEN2APH1B
SCHEMBL13611598 0.90 FFAR4 (0.42) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL8267595 0.90 SCN1A (0.37) FFAR1EPHX2SCN1ASCN4ASCN7A
SCHEMBL13611614 0.89 FFAR4 (0.40) FFAR4FFAR1PSEN1PSEN2APH1B
SCHEMBL8269818 0.89 CXCR4 (0.37) RORC
SCHEMBL8268223 0.87 FFAR4 (0.37) FFAR4PSEN1PSEN2APH1BNCSTN
SCHEMBL13611497 0.87 TEAD1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13611599 0.86 OPRK1 (0.36) FFAR4CYP3A5PSEN1PSEN2APH1B
SCHEMBL8268235 0.85 FFAR4 (0.42) FFAR4FFAR1PSEN1PSEN2APH1B

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 FFAR4 2931/4885FFAR1 1996/4885CYP3A5 2661/4885

“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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