SCHEMBL13611493

SCHEMBL13611493

COC(=O)C[C@H]1CCN(Cc2ccccc2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ FAAH O00519 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 0.90 ACHE (0.37) LTA4HBCHEACHEFAAH
SCHEMBL8269180 0.89 KDM4E (0.41) BCHEACHE
SCHEMBL13513892 0.84 CHRM4 (0.36) LTA4H
SCHEMBL8267595 0.84 SCN1A (0.37) —
SCHEMBL8269169 0.84 GPBAR1 (0.36) FAAH
SCHEMBL13513834 0.83 HTR1A (0.33) NR1H2DRD2DRD4LTA4H
SCHEMBL8268946 0.82 PSEN1 (0.40) LTA4H
SCHEMBL13611497 0.82 TEAD1 (0.43) —
SCHEMBL8269820 0.82 FFAR4 (0.38) FAAH
SCHEMBL13513826 0.82 MAPT (0.38) DRD2DRD4ACHEFAAH

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 NR1H2 464/4885DRD2 953/4885DRD4 1655/4885

“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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