SCHEMBL5180771

SCHEMBL5180771

OCCN(CCO)CC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
GABRA5 P31644 3/20 0.32
SLC6A1 P30531 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL23639665 0.91 GNAO1 (0.37) GBA1KDM4EHSD17B10JAK2JAK1
SCHEMBL5178457 0.81 GBA1 (0.35) GBA1GABRA5SLC6A1GABRB2SLC6A12
SCHEMBL15698381 0.79 EP300 (0.36) GBA1JAK2JAK1TYK2GABRA5
Hydrochloric Acid SCHEMBL5179835 0.79 GBA1 (0.34) GBA1GABRA5SLC6A1GABRB2SLC6A12
SCHEMBL25134746 0.78 DRD2 (0.40) GBA1KDM4EHSD17B10OPRM1OPRD1
SCHEMBL14593329 0.77 OPRM1 (0.45) OPRM1OPRD1OPRK1CYP1A2CYP2D6
SCHEMBL3426497 0.76 OPRM1 (0.36) KDM4EHSD17B10JAK2JAK1TYK2
SCHEMBL12443378 0.74 KDM4E (0.40) KDM4EHSD17B10JAK2JAK1TYK2
SCHEMBL13741709 0.74 JAK2 (0.37) JAK2JAK1SLC6A2SLC6A4
Trolamine SCHEMBL11407288 0.73 MAPT (0.38) KDM4EHSD17B10CYP1A2

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 4431/4885KDM4E 1799/4885HSD17B10 454/4885

“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.