SCHEMBL13604393

SCHEMBL13604393

CCCc1ccc(C(F)(F)F)cc1CN1CC[C@H](CC(=O)OC)C[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ PSEN1 P49768 16/20 0.40
▸ PSEN2 P49810 16/20 0.40
▸ APH1B Q8WW43 16/20 0.40
▸ NCSTN Q92542 16/20 0.40
▸ APH1A Q96BI3 16/20 0.40
▸ PSENEN Q9NZ42 16/20 0.40
▸ RORC P51449 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2857874 0.90 PSEN1 (0.50) PPARDPPARAPSEN1PSEN2APH1B
SCHEMBL13513745 0.90 PSEN1 (0.50) PPARDPPARAPSEN1PSEN2APH1B
SCHEMBL2857872 0.90 PSEN1 (0.50) PPARDPPARAPSEN1PSEN2APH1B
SCHEMBL13513794 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13513793 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13604386 0.83 KDM4E (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8268220 0.82 PPARD (0.36) PPARGPPARDPPARARORC
SCHEMBL13604383 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8267602 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4495674 0.80 PSEN1 (0.38) PPARGPPARDPPARAPSEN1PSEN2

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 2 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

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 PPARG 1182/4885PPARD 1580/4885PPARA 1172/4885

“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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