SCHEMBL5179746

SCHEMBL5179746

CCCCCCCCCCCCCC(=O)OCCN(CCCN1CCC(CCNC(=N)N)CC1)CCOC(=O)CCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.40
HTR4 Q13639 4/20 0.38
DGKA P23743 1/20 0.36
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
GNAO1 P09471 4/20 0.36
GNAI3 P08754 3/20 0.36
GNAI1 P63096 3/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TLR2 O60603 1/20 0.35
EPHX2 P34913 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL5179462 0.93 DNM1 (0.40) DNM1HTR4DGKAACHEGNAO1
SCHEMBL5180036 0.89 DNM1 (0.41) DNM1HTR4DGKAGNAO1GNAI3
SCHEMBL5178169 0.85 DNM1 (0.45) DNM1HTR4DGKAACHEGNAO1
SCHEMBL5179258 0.85 DNM1 (0.45) DNM1HTR4DGKAACHEGNAO1
SCHEMBL5179404 0.83 DNM1 (0.47) DNM1HTR4DGKAGNAO1GNAI3
SCHEMBL5178119 0.81 GNAI3 (0.51) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5178032 0.81 GNAI3 (0.51) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5178963 0.78 DNM1 (0.44) DNM1HTR4DGKAGNAO1GNAI3
SCHEMBL5179869 0.78 GNAI3 (0.53) DNM1DGKABCHEGNAO1GNAI3
SCHEMBL5179896 0.78 GNAI3 (0.53) DNM1DGKABCHEGNAO1GNAI3

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
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

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 DNM1 2011/4885HTR4 563/4885DGKA 3665/4885

“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.