SCHEMBL13513845

SCHEMBL13513845

CCC[C@H]1C[C@@H](CC(=O)OCC)C[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ FFAR1 O14842 10/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CCRL2 O00421 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL13604442 1.00 ALDH1A1 (0.34) ALDH1A1KCNN4PPARGATMFFAR1
SCHEMBL2857812 0.89 PSEN1 (0.41) FFAR1
SCHEMBL2854067 0.89 PSEN1 (0.41) FFAR1
SCHEMBL2862626 0.89 PSEN1 (0.41) FFAR1
SCHEMBL2854065 0.89 PSEN1 (0.41) FFAR1
SCHEMBL13513807 0.87 PSEN1 (0.38) FFAR1
SCHEMBL13513808 0.85 CYP2D6 (0.32) FFAR1
SCHEMBL8269013 0.80 FFAR1 (0.31) FFAR1CCRL2
SCHEMBL8269012 0.80 FFAR1 (0.31) FFAR1CCRL2
SCHEMBL4496929 0.78 FFAR1 (0.38) FFAR1

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
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

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 ALDH1A1 736/4885KCNN4 1783/4885PPARG 1182/4885

“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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