SCHEMBL5222417

SCHEMBL5222417

COC(=O)c1cc(N2CCCC2=O)c2ccn(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSD P07339 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5219489 0.89 ALDH1A1 (0.47) CYP2C9CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL5222810 0.85 BACE1 (0.51) CYP2C9CYP3A4MAPTSMN1; SMN2POLB
SCHEMBL5216936 0.84 BACE1 (0.44) CYP2C9CYP3A4MAPTBACE1ALDH1A1
SCHEMBL5389115 0.83 BACE1 (0.43) CYP2C9CYP3A4MAPTKDM4EBACE1
SCHEMBL5223591 0.77 CYP2C9 (0.45) CYP2C9CYP3A4MAPTSMN1; SMN2POLB
SCHEMBL5219674 0.77 CYP2C9 (0.45) CYP2C9CYP3A4MAPTSMN1; SMN2POLB
SCHEMBL5218480 0.76 CREBBP (0.45) CYP2C9CYP3A4MAPTSMN1; SMN2MEN1
SCHEMBL17113154 0.75 USP2 (0.48) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL5221894 0.75 BACE1 (0.49) CYP2C9CYP3A4MAPTMEN1KMT2A
SCHEMBL5387536 0.74 CHRM2 (0.43) CYP2C9CYP3A4SMN1; SMN2MEN1KMT2A

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 CYP2C9 4747/4885CYP3A4 3657/4885MAPT 16/4885

“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.