SCHEMBL3490768

SCHEMBL3490768

CC(CO)NC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CCn1ccc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.40
CTSD P07339 6/20 0.40
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
NTSR1 P30989 1/20 0.38
BACE2 Q9Y5Z0 2/20 0.37
MAPT P10636 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3490766 1.00 BACE1 (0.40) BACE1CTSDMAPK1CYP1A2CYP3A4
SCHEMBL4389310 0.91 BACE1 (0.39) BACE1CTSDMAPK1CYP1A2CYP3A4
SCHEMBL4389306 0.91 BACE1 (0.39) BACE1CTSDMAPK1CYP1A2CYP3A4
SCHEMBL4399028 0.84 KDM4E (0.50) BACE1CTSDBACE2
SCHEMBL4399031 0.84 KDM4E (0.50) BACE1CTSDBACE2
SCHEMBL4401547 0.83 MAPT (0.42) BACE1CTSDLMNABACE2MAPT
SCHEMBL4399447 0.83 MAPT (0.42) BACE1CTSDLMNABACE2MAPT
SCHEMBL3490218 0.81 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL3490217 0.81 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL4393781 0.80 BACE1 (0.41) BACE1CTSDMAPK1LMNABACE2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US claimed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP claimed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US 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 (3 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 BACE1 1/4885CTSD 231/4885MAPK1 3403/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 BACE1 1/4885CTSD 282/4885MAPK1 3559/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 BACE1 1/4885CTSD 282/4885MAPK1 3559/4885

“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.