SCHEMBL8206040

SCHEMBL8206040

CC(C)(C)CCCN1[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](CC(=O)O)C(F)(F)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.56
PSEN2 P49810 12/20 0.56
APH1B Q8WW43 12/20 0.56
NCSTN Q92542 12/20 0.56
APH1A Q96BI3 12/20 0.56
PSENEN Q9NZ42 12/20 0.56
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIN2B Q13224 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PRKCZ Q05513 1/20 0.31

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
SCHEMBL1039991 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13512574 0.96 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12957548 0.96 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12957521 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8201590 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1036708 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13512572 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039698 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1041934 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8203066 0.81 PSEN1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063710-B1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (US) 2011-01-26 EP disclosed
US-20100010041-A1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100010041-A1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
WO-2008030391-A2 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-03-13 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-20100010041-A1 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS PSEN1, PSEN2, BACE1 PSEN1 1/4885PSEN2 2/4885APH1B 18/4885

“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.