SCHEMBL5178776

SCHEMBL5178776

NCCCCN1CCC(CN(CCO)CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CHRM3 P20309 8/20 0.34
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC6A4 P31645 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
SCHEMBL5177566 0.95 KEAP1 (0.39) CHRM1GNAI3GNAO1GNAI1CHRM3
SCHEMBL5178698 0.88 PRMT3 (0.42) GNAI3GNAO1GNAI1CHRM3
SCHEMBL5178556 0.83 ALOX15 (0.38) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL5179307 0.81 ALOX15 (0.42) GNAO1
SCHEMBL5180446 0.79 CHRM1 (0.35) CHRM1GNAI3GNAO1GNAI1CHRM3
SCHEMBL5177788 0.79 NCF1 (0.41) GNAI3GNAO1GNAI1
SCHEMBL5179818 0.79 CHRM3 (0.35) GNAI3GNAO1GNAI1CHRM3KEAP1
SCHEMBL5034030 0.75 CHRM1 (0.49) CHRM1GNAI3GNAO1GNAI1CHRM3
SCHEMBL25592893 0.74 GNAO1 (0.40) CHRM1GNAI3GNAO1GNAI1KEAP1
SCHEMBL6327507 0.74 ACHE (0.45) CHRM1GNAI3GNAO1GNAI1CHRM3

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 CHRM1 87/4885GNAI3 3849/4885GNAO1 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.