SCHEMBL13513826

SCHEMBL13513826

O=C(O)C[C@H]1CCN(Cc2cccc(Cl)c2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CXCR4 P61073 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8268207 0.92 ACHE (0.37) ACHEFAAHPSEN1PSEN2APH1B
SCHEMBL13611435 0.90 ALDH1A1 (0.41) MAPTKDM4EALDH1A1GAAKCNH2
SCHEMBL8268946 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8269820 0.90 FFAR4 (0.38) CXCR4SIGMAR1FAAH
SCHEMBL13611599 0.89 OPRK1 (0.36) ALDH1A1SIGMAR1PSEN1PSEN2APH1B
SCHEMBL13611862 0.87 MCHR1 (0.37) CXCR4DRD4SIGMAR1
SCHEMBL13513892 0.86 CHRM4 (0.36) ALDH1A1SIGMAR1
SCHEMBL13513701 0.86 RORC (0.37) CXCR4SIGMAR1PSEN1PSEN2APH1B
SCHEMBL13611497 0.86 TEAD1 (0.43) KDM4EALDH1A1KCNH2SIGMAR1PSEN1
SCHEMBL8268949 0.86 GPBAR1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 MAPT 12/4885KDM4E 3480/4885ALDH1A1 736/4885

“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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