SCHEMBL5389340

SCHEMBL5389340

COc1cccc(CCNC[C@@H](O)[C@@H](N)Cc2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
F2 P00734 1/20 0.48
BCHE P06276 8/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
GAA P10253 1/20 0.43
BACE1 P56817 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
Hydrochloric Acid SCHEMBL5217206 0.99 CTSG (0.49) CTSGCMA1F2BCHECA12
SCHEMBL4044406 0.91 BCHE (0.55) F2BCHECA12CA1CA2
Hydrochloric Acid SCHEMBL5220636 0.90 BCHE (0.54) F2BCHECA12CA1CA2
SCHEMBL3350055 0.81 CAPN1 (0.50) F2BCHETAAR1HTR2AHTR2C
SCHEMBL5216965 0.81 BCHE (0.69) F2BCHEKDM4EALDH1A1GAA
SCHEMBL5386446 0.80 BCHE (0.52) CTSGCMA1BCHEBACE1
SCHEMBL5386450 0.80 BCHE (0.52) CTSGCMA1BCHEBACE1
SCHEMBL4048957 0.80 ADRB2 (0.65) ALDH1A1
SCHEMBL4688827 0.79 F2 (0.52) CTSGCMA1F2BCHEKDM4E
SCHEMBL5223861 0.79 CTSG (0.48) CTSGCMA1BCHECA12CA1

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 2 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
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 CTSG 590/4885CMA1 230/4885F2 4696/4885

“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.