SCHEMBL3466698

SCHEMBL3466698

CCOC[N]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ACHE P22303 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 2/20 0.35
LTA4H P09960 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
KCNH2 Q12809 1/20 0.35
GLA P06280 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11772280 0.82 LMNA (0.38) ALDH1A1LTA4HNOS3NOS1NOS2
SCHEMBL11770639 0.78 ALDH1A1 (0.39) ALDH1A1TSHRLTA4HL3MBTL1NOS3
Ether SCHEMBL2017189 0.74 CYP3A4 (0.45) ALDH1A1ACHEPIN1KDM4EPOLB
SCHEMBL53706 0.74
SCHEMBL29942277 0.72 ALDH1A1 (0.43) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL7664057 0.71 ACHE (0.46) ALDH1A1ACHENPSR1POLBTSHR
SCHEMBL95534 0.70 ALDH1A1 (0.41) ALDH1A1ACHETSHRNOS3NOS1
SCHEMBL38660928 0.70 ALDH1A1 (0.41) ALDH1A1TSHRNOS3NOS1NOS2
Ether SCHEMBL8755981 0.70 ALDH1A1 (0.37) ALDH1A1NPSR1KDM4EPOLBLTA4H
Biphenyl SCHEMBL1147617 0.69 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRLTA4HL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20070021400-A1 Amino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
EP-1745776-A1 Aminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 EP disclosed
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed
US-3946071-A HERBICIDES MONSANTO COMPANY (US) 1976-03-23 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 (2 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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A ALDH1A1 161/4885ACHE 1315/4885NPSR1 313/4885
US-20070021400-A1 Amino alcohols as therapeutic compounds CTSL, CTSD, CTSS ALDH1A1 279/4885ACHE 757/4885NPSR1 443/4885

“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.