SCHEMBL4399447

SCHEMBL4399447

O=C(CCn1ccc2ccccc21)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPY5R Q15761 2/20 0.40
BACE1 P56817 12/20 0.40
SLC6A4 P31645 1/20 0.40
CTSD P07339 2/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL4401547 1.00 MAPT (0.42) MAPTNPY5RBACE1SLC6A4CTSD
SCHEMBL4399028 0.88 KDM4E (0.50) BACE1CTSDBACE2
SCHEMBL4399031 0.88 KDM4E (0.50) BACE1CTSDBACE2
SCHEMBL4400890 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4400888 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4389966 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4400657 0.83 BACE1 (0.41) BACE1CTSDLMNABACE2
SCHEMBL4394658 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4393781 0.83 BACE1 (0.41) BACE1CTSDLMNABACE2
SCHEMBL3490766 0.83 BACE1 (0.40) MAPTBACE1CTSDLMNABACE2

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-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP claimed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP 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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 MAPT 204/4885NPY5R 1088/4885BACE1 1/4885

“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.