SCHEMBL5178457

SCHEMBL5178457

OCCN(CCO)CCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
BRD4 O60885 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
LSS P48449 1/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
GNAO1 P09471 3/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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 SCHEMBL5179835 0.98 GBA1 (0.34) GBA1SLC6A2SLC6A4HRH3BRD4
SCHEMBL5180771 0.81 GBA1 (0.36) GBA1SLC6A2SLC6A4SLC6A1GABRA5
SCHEMBL18970796 0.80 CYP1A2 (0.36) LSS
SCHEMBL21540719 0.80 BRD4 (0.36) GBA1SLC6A2SLC6A4HRH3BRD4
SCHEMBL20072734 0.79 HRH3 (0.33) GBA1HRH3BRD4GNAO1
SCHEMBL28281 0.77
SCHEMBL3999956 0.77 GNAO1 (0.39) GBA1SLC6A2SLC6A4HRH3BRD4
Trolamine SCHEMBL11407288 0.77 MAPT (0.38)
Hydrochloric Acid SCHEMBL6147160 0.75 GNAO1 (0.41) GBA1SLC6A2SLC6A4HRH3BRD4
SCHEMBL28134700 0.75

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927174-B1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS MEDIGENE AG (DE) 2007-12-12 EP disclosed
US-7097854-B2 Amino alcohol derivatives, process for their production and pharmaceutical preparations and reagents containing these compounds MEDIGENE ONCOLOGY GMBH (DE) 2006-08-29 US disclosed
US-20030236266-A1 Amino alcohol derivatives, process for their production and pharmaceutical preparations and reagents containing these compounds ROCHE DIAGNOSTICS GMBH 2003-12-25 US disclosed
CN-1087293-C New amino alcohol derivatives, process for production thereof and medicaments and reagents containing these compounds ROHER DIAGNOSTIC EQUIPMENT AG (DE) 2002-07-10 CN disclosed
CN-1237161-A New amino alcohol derivatives, process for production thereof and medicaments and reagents containing these compounds ROHER DIAGNOSTIC EQUIPMENT AG (DE) 1999-12-01 CN disclosed
EP-0927174-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS MediGene Oncology GmbH (DE) 1999-07-07 EP disclosed
WO-1998011082-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1998-03-19 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-20030236266-A1 Amino alcohol derivatives, process for their production and pharmaceutical preparations and reagents containing these compounds ADH1C, ADH1A, ADH5 GBA1 4431/4885SLC6A2 1354/4885SLC6A4 1867/4885

“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.