SCHEMBL5226544

SCHEMBL5226544

O=C(O)c1cc(C2CCCCC2)cc(N2CCCC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KMO O15229 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5222567 0.99 ALDH1A1 (0.56) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL5249518 0.87 SMN1; SMN2 (0.49) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL5249254 0.86 NPC1 (0.47) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL5219110 0.82 ALDH1A1 (0.71) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL30912307 0.79 KMO (0.70) ALDH1A1RAB9ASMN1; SMN2KMOMEN1
SCHEMBL20794675 0.79 ALDH1A1 (0.61) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL5221612 0.78 NPC1 (0.56) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL5223384 0.77 ALDH1A1 (0.60) HPGDALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL8613401 0.77 KMO (0.68) ALDH1A1RAB9ASMN1; SMN2KMOMEN1
SCHEMBL2202549 0.77 ALDH1A1 (0.63) HPGDALDH1A1CYP2C19CYP3A4CYP2C9

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
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 HPGD 2131/4885ALDH1A1 3102/4885CYP2C19 4335/4885

“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.