SCHEMBL5180652

SCHEMBL5180652

CCN(CC)CCCN(C)CCCN(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.36
PAOX Q6QHF9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
DRD3 P35462 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 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
SCHEMBL3935091 0.95 CYP1A2 (0.36) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL11724032 0.93 MAPT (0.38) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL1251004 0.91 CYP1A2 (0.46) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL2850210 0.91 CYP1A2 (0.46) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL23223468 0.88 MAPT (0.38) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL11716470 0.88 PAOX (0.36) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL6233208 0.88 MAPT (0.41) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL11723112 0.86 SMN1; SMN2 (0.36) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL16181778 0.86 CYP1A2 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL13488737 0.85 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A

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 5 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
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 CYP1A2 90/4885CYP2C9 492/4885HPGD 684/4885

“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.