SCHEMBL5219064

SCHEMBL5219064

COC(=O)c1cc(N)cc(N2CCCC2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5851474 0.87 SMN1; SMN2 (0.42) HSD17B10SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5216170 0.86 HSD17B10 (0.41) HSD17B10SMN1; SMN2NPC1HPGDLMNA
SCHEMBL5853141 0.84 CFTR (0.41) HSD17B10SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL5222867 0.83 HSD17B10 (0.36) HSD17B10SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5222872 0.83 HSD17B10 (0.36) HSD17B10SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5222877 0.83 HSD17B10 (0.36) HSD17B10SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5223450 0.82 ALDH1A1 (0.46) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL5216498 0.82 BACE1 (0.47) HSD17B10SMN1; SMN2HPGDLMNATSHR
SCHEMBL5221159 0.82 LMNA (0.39) HSD17B10SMN1; SMN2HPGDLMNATSHR
SCHEMBL5855152 0.81 APOBEC3A (0.43) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E

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-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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 HSD17B10 1753/4885SMN1; SMN2 478/4885NPC1 1554/4885

“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.