SCHEMBL4399028

SCHEMBL4399028

O=C(CCn1ccc2ccccc21)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
BACE1 P56817 15/20 0.49
CTSD P07339 4/20 0.49
SLC6A11 P48066 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
BCHE P06276 2/20 0.43

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
SCHEMBL4399031 1.00 KDM4E (0.50) KDM4EALDH1A1BACE1CTSDSLC6A11
SCHEMBL4400890 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4389966 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4400888 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4394658 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4393781 0.88 BACE1 (0.41) KDM4EALDH1A1BACE1CTSDSLC6A11
SCHEMBL4400657 0.88 BACE1 (0.41) KDM4EALDH1A1BACE1CTSDSLC6A11
SCHEMBL4399447 0.88 MAPT (0.42) BACE1CTSDBACE2
SCHEMBL4401547 0.88 MAPT (0.42) BACE1CTSDBACE2
SCHEMBL3490766 0.84 BACE1 (0.40) BACE1CTSDBACE2

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 KDM4E 2492/4885ALDH1A1 1479/4885BACE1 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.