SCHEMBL5179682

SCHEMBL5179682

CN(C)CCCN(C)CCCN(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
DNM1 Q05193 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
CHRM2 P08172 1/20 0.32
PAOX Q6QHF9 1/20 0.31
CYP1A2 P05177 1/20 0.30
HRH2 P25021 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL3920833 0.95 MAPT (0.50) MAPTALDH1A1TSHRCA12CA2
SCHEMBL2847428 0.93 MAPT (0.58) MAPTALDH1A1TSHRCA12CA2
SCHEMBL1250791 0.93 MAPT (0.58) MAPTALDH1A1TSHRCA12CA2
SCHEMBL571030 0.93 MAPT (0.58) MAPTALDH1A1TSHRCA12CA2
SCHEMBL6233208 0.90 MAPT (0.41) MAPTCA12CA2CA3CA4
SCHEMBL2845499 0.90 MAPT (0.55) MAPTALDH1A1TSHRCA12CA2
SCHEMBL1408983 0.87 MAPT (0.58) MAPTALDH1A1TSHRCA12CA2
SCHEMBL5911243 0.87 MAPT (0.43) MAPTCA12CA2CA3CA4
SCHEMBL20017066 0.87 TSHR (0.50) MAPTALDH1A1TSHRCA12CA2
SCHEMBL17401307 0.85 MAPT (0.41) MAPTCA12CA2CA3CA4

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 MAPT 4564/4885ALDH1A1 108/4885TSHR 757/4885

“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.