SCHEMBL8269180

SCHEMBL8269180

COC(=O)C[C@H]1CCN(Cc2ccccc2C(F)(F)F)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 8/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ MAPT P10636 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 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
SCHEMBL8269184 0.89 KDM4E (0.40) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL13611493 0.89 NR1H2 (0.41) BCHEACHE
SCHEMBL8269169 0.88 GPBAR1 (0.36) HTT
SCHEMBL8269182 0.86 DRD2 (0.31) KDM4E
SCHEMBL8267595 0.83 SCN1A (0.37) KDM4EALDH1A1NPSR1KMT2AMAPT
SCHEMBL8268220 0.82 PPARD (0.36) LMNA
SCHEMBL13611501 0.81 FFAR1 (0.37) KMT2A
SCHEMBL8269818 0.80 CXCR4 (0.37) ALDH1A1ATMPOLB
SCHEMBL13513834 0.79 HTR1A (0.33) KDM4E
SCHEMBL8269827 0.79 FFAR1 (0.36) KDM4EALDH1A1KMT2AMEN1POLB

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 4 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
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 KDM4E 3480/4885ALDH1A1 736/4885TDP1 2227/4885

“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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