SCHEMBL5221612

SCHEMBL5221612

O=C(O)c1cc(NC2CCCCC2)cc(N2CCCC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 5/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
CTSD P07339 7/20 0.47
BACE1 P56817 7/20 0.47
BACE2 Q9Y5Z0 7/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5223517 0.99 NPC1 (0.54) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5224335 0.89 NPC1 (0.53) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5220800 0.88 NPC1 (0.51) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5218227 0.80 ALDH1A1 (0.57) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5219110 0.79 ALDH1A1 (0.71) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL25062874 0.79 GAA (0.47) NPC1SMN1; SMN2RAB9AHPGDTP53
SCHEMBL30290478 0.79 GAA (0.47) NPC1SMN1; SMN2RAB9AHPGDTP53
SCHEMBL5221660 0.79 CTSD (0.50) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5223595 0.78 ALDH1A1 (0.55) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL5226544 0.78 HPGD (0.55) NPC1SMN1; SMN2RAB9AHPGDTSHR

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 NPC1 1554/4885SMN1; SMN2 478/4885RAB9A 2403/4885

“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.