SCHEMBL4522362

SCHEMBL4522362

CCCC[C@H](O)[C@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.55
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
BACE1 P56817 3/20 0.34
DPP4 P27487 1/20 0.33
CTSD P07339 1/20 0.32

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
SCHEMBL13817892 1.00 CSNK1E (0.55) CSNK1ECYP2D6SPHK1GMNNLMNA
SCHEMBL6342980 0.91 CSNK1E (0.46) CSNK1ECYP2D6SPHK1GMNNLMNA
SCHEMBL6351548 0.91 CSNK1E (0.46) CSNK1ECYP2D6SPHK1GMNNLMNA
Hydrochloric Acid SCHEMBL6346457 0.89 CSNK1E (0.44) CSNK1ECYP2D6SPHK1GMNNLMNA
SCHEMBL3349058 0.81 CSNK1E (0.40) CSNK1EBACE1CTSDRENADRB1
SCHEMBL13814727 0.78 IDO1 (0.36) CSNK1EBLMKDM4ECYP3A4MAPT
SCHEMBL4823652 0.78 IDO1 (0.36) CSNK1EDPP4IDO1ADRB1
SCHEMBL4508560 0.77 CSNK1E (0.88) CSNK1ECYP2D6SPHK1GMNNLMNA
SCHEMBL27648870 0.77 CSNK1E (0.88) CSNK1ECYP2D6SPHK1GMNNLMNA
SCHEMBL4516038 0.77 CSNK1E (0.88) CSNK1ECYP2D6SPHK1GMNNLMNA

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-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CSNK1E 775/4885CYP2D6 1739/4885SPHK1 797/4885

“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.