SCHEMBL5178556

SCHEMBL5178556

CN(C)CCCCN1CCC(CN(CCO)CCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
SIGMAR1 Q99720 1/20 0.34
GNAO1 P09471 2/20 0.34
HTR4 Q13639 1/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
GSK3B P49841 1/20 0.32
HTR7 P34969 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
SCHEMBL5179307 0.95 ALOX15 (0.42) ALOX15GNAO1HTR4MAPTGSK3B
SCHEMBL5178776 0.83 CHRM1 (0.36) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL5177566 0.81 KEAP1 (0.39) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL5177836 0.79 ALOX15 (0.39) ALOX15GNAO1MAPTGNAI3GNAI1
SCHEMBL5178698 0.77 PRMT3 (0.42) ALOX15GNAO1GNAI3GNAI1
SCHEMBL11477493 0.76 GNAO1 (0.54) GNAO1KCNH2GNAI3GNAI1
SCHEMBL5179458 0.74 ALOX15 (0.43) ALOX15HTR4MAPTHTR7
SCHEMBL27395113 0.74 GNAO1 (0.37) ALOX15SIGMAR1GNAO1KCNH2
SCHEMBL27416761 0.74 ALOX15 (0.36) ALOX15SIGMAR1GNAO1KCNH2HTR7
SCHEMBL11472846 0.73 GNAO1 (0.51) GNAO1KCNH2GNAI3GNAI1

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 ALOX15 1312/4885SIGMAR1 126/4885GNAO1 2200/4885

“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.