SCHEMBL5400529

SCHEMBL5400529

CC(C)CCCC(C)NC[C@@H](O)[C@@H](N)Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
SLC2A1 P11166 3/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MASP2 O00187 1/20 0.39
ADRB2 P07550 8/20 0.39
SPPL2A Q8TCT8 1/20 0.39
ADRB1 P08588 7/20 0.38
ADRB3 P13945 6/20 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
Hydrochloric Acid SCHEMBL5221937 0.99 PNMT (0.48) PNMTCTSDBACE1BACE2SLC2A1
SCHEMBL5393980 0.86 CTSD (0.44) CTSDBACE1BACE2ADRB2ADRB1
SCHEMBL5404892 0.85 CSNK1E (0.51) CTSDBACE1BACE2ADRB2SPPL2A
Hydrochloric Acid SCHEMBL5217734 0.85 CTSD (0.43) CTSDBACE1BACE2ADRB2ADRB1
Hydrochloric Acid SCHEMBL4692419 0.84 CSNK1E (0.50) CTSDBACE1BACE2ADRB2SPPL2A
SCHEMBL5223736 0.81 BACE1 (0.57) PNMTCTSDBACE1BACE2SLC2A1
SCHEMBL5223728 0.81 BACE1 (0.57) PNMTCTSDBACE1BACE2SLC2A1
SCHEMBL5396597 0.79 SLC6A2 (0.40) CTSDBACE1BACE2ADRB2SPPL2A
Hydrochloric Acid SCHEMBL5222425 0.78 SLC6A2 (0.40) CTSDBACE1BACE2ADRB2SPPL2A
Hydrochloric Acid SCHEMBL5219422 0.77 BACE1 (0.36) CTSDBACE1BACE2ADRB2ADRB1

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 PNMT 6/4885CTSD 384/4885BACE1 3/4885

“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.