SCHEMBL5222005

SCHEMBL5222005

CCN1CCNc2c1cc(C(=O)OC)cc2[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
HPGD P15428 1/20 0.40
VCAM1 P19320 1/20 0.39
WDR5 P61964 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL5219254 0.81 KDM4E (0.42) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5225585 0.76 CYP2C9 (0.38) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL5216901 0.75 MAPT (0.48) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL5218589 0.75 TP53 (0.31) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL5218575 0.75 TP53 (0.39) MAPTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL5217671 0.72 ALDH1A1 (0.36) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL20840695 0.71 MAPT (0.44) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL5306835 0.70 TP53 (0.32)
SCHEMBL5220005 0.70 TP53 (0.30)
SCHEMBL30597271 0.69 TDP1 (0.43) MAPTKMT2AMEN1KDM4EALDH1A1

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 MAPT 16/4885KMT2A 300/4885MEN1 586/4885

“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.