SCHEMBL5259707

SCHEMBL5259707

CCCN(CCC)C(=O)c1cc(C(=O)OC)cc(N2CCCCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL5219640 0.97 MEN1 (0.44) POLBCYP1A2MEN1KMT2AUSP2
SCHEMBL5217979 0.88 ALDH1A1 (0.49) CYP1A2MEN1KMT2AUSP2TSHR
SCHEMBL3855312 0.86 CYP1A2 (0.45) CYP1A2MEN1KMT2AUSP2LMNA
SCHEMBL5217702 0.86 ALDH1A1 (0.51) CYP1A2MEN1KMT2AUSP2TSHR
SCHEMBL475775 0.81 MEN1 (0.56) POLBCYP1A2MEN1KMT2ALMNA
SCHEMBL5222949 0.81 MEN1 (0.48) CYP1A2MEN1KMT2ALMNATSHR
SCHEMBL5155856 0.79 GFER (0.41) CYP1A2MEN1KMT2ATSHRGAA
SCHEMBL18767231 0.79 CTSD (0.52) POLBLMNAALDH1A1MAPT
SCHEMBL5219444 0.79 MEN1 (0.56) POLBCYP1A2MEN1KMT2ALMNA
SCHEMBL5222337 0.78 USP2 (0.46) POLBMEN1KMT2AUSP2LMNA

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 POLB 723/4885CYP1A2 2757/4885MEN1 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.